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N-[3-(2-methoxyethyl)-4,5-dimethyl-2,3-dihydro-1,3-thiazol-2-ylidene]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
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ChemBase ID:
125566
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Molecular Formular:
C16H26N2O2S
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Molecular Mass:
310.45484
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Monoisotopic Mass:
310.17149908
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SMILES and InChIs
SMILES:
Cc1c(s/c(=N\C(=O)C2C(C2(C)C)(C)C)/n1CCOC)C
Canonical SMILES:
COCCn1/c(=N/C(=O)C2C(C2(C)C)(C)C)/sc(c1C)C
InChI:
InChI=1S/C16H26N2O2S/c1-10-11(2)21-14(18(10)8-9-20-7)17-13(19)12-15(3,4)16(12,5)6/h12H,8-9H2,1-7H3
InChIKey:
JKGIMVBQKSRTGX-UHFFFAOYSA-N
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Cite this record
CBID:125566 http://www.chembase.cn/molecule-125566.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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N-[3-(2-methoxyethyl)-4,5-dimethyl-2,3-dihydro-1,3-thiazol-2-ylidene]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
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IUPAC Traditional name
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N-[3-(2-methoxyethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
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Synonyms
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CAS Number
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PubChem SID
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PubChem CID
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Chemspider ID
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Wikipedia Title
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
Data Source
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Data ID
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Price
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
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4
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H Donor
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0
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LogD (pH = 5.5)
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2.6760552
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LogD (pH = 7.4)
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2.6760554
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Log P
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2.6760554
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Molar Refractivity
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89.6841 cm3
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Polarizability
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34.21978 Å3
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Polar Surface Area
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41.9 Å2
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Rotatable Bonds
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4
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
DETAILS
DETAILS
Wikipedia
PATENTS
PATENTS
PubChem Patent
Google Patent