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2-(dimethyl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide

ChemBase ID: 341383
Molecular Formular: C12H14N2OS2
Molecular Mass: 266.38236
Monoisotopic Mass: 266.05475508
SMILES and InChIs

SMILES:
c1(nc(sc1C)C)CC(=O)NCc1cscc1
Canonical SMILES:
O=C(Cc1nc(sc1C)C)NCc1cscc1
InChI:
InChI=1S/C12H14N2OS2/c1-8-11(14-9(2)17-8)5-12(15)13-6-10-3-4-16-7-10/h3-4,7H,5-6H2,1-2H3,(H,13,15)
InChIKey:
MZLCTRAGGPLOGH-UHFFFAOYSA-N

Cite this record

CBID:341383 http://www.chembase.cn/molecule-341383.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(dimethyl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide
IUPAC Traditional name
2-(dimethyl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide
Synonyms
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(3-thienylmethyl)acetamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 14013444 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 15.006065  H Acceptors
H Donor LogD (pH = 5.5) 2.3410587 
LogD (pH = 7.4) 2.346146  Log P 2.3462112 
Molar Refractivity 70.1363 cm3 Polarizability 26.638544 Å3
Polar Surface Area 41.99 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.66  LOG S -3.76 
Polar Surface Area 41.99 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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