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N-(furan-2-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-(prop-2-en-1-yl)acetamide

ChemBase ID: 320797
Molecular Formular: C14H16N2O2S
Molecular Mass: 276.35404
Monoisotopic Mass: 276.09324876
SMILES and InChIs

SMILES:
n1c(CC(=O)N(Cc2occc2)CC=C)csc1C
Canonical SMILES:
C=CCN(C(=O)Cc1csc(n1)C)Cc1ccco1
InChI:
InChI=1S/C14H16N2O2S/c1-3-6-16(9-13-5-4-7-18-13)14(17)8-12-10-19-11(2)15-12/h3-5,7,10H,1,6,8-9H2,2H3
InChIKey:
YPUGRSJBHSAEFZ-UHFFFAOYSA-N

Cite this record

CBID:320797 http://www.chembase.cn/molecule-320797.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(furan-2-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-(prop-2-en-1-yl)acetamide
IUPAC Traditional name
N-(furan-2-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-(prop-2-en-1-yl)acetamide
Synonyms
N-allyl-N-(2-furylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11056017 external link Add to cart
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 1.9337238  LogD (pH = 7.4) 1.935064 
Log P 1.935081  Molar Refractivity 74.4245 cm3
Polarizability 28.356974 Å3 Polar Surface Area 46.34 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.45  LOG S -2.45 
Polar Surface Area 46.34 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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