N-(3-acetylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

C17H14N2O2S2 — CID 9078887

IUPACN-(3-acetylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2sc(-c3ccsc3)nc2C)c1
InChIInChI=1S/C17H14N2O2S2/c1-10-15(23-17(18-10)13-6-7-22-9-13)16(21)19-14-5-3-4-12(8-14)11(2)20/h3-9H,1-2H3,(H,19,21)
InChIKeyAZRPXYBLDQKSQG-UHFFFAOYSA-N
MW342.45 g/mol
LogP4.63
Rot. Bonds4

About N-(3-acetylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

N-(3-acetylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 9078887) has the molecular formula C17H14N2O2S2 and a molecular weight of 342.45 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
PubChem CID9078887
Molecular FormulaC17H14N2O2S2
Molecular Weight342.45 g/mol
Exact Mass342.05
IUPAC NameN-(3-acetylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2sc(-c3ccsc3)nc2C)c1
InChIInChI=1S/C17H14N2O2S2/c1-10-15(23-17(18-10)13-6-7-22-9-13)16(21)19-14-5-3-4-12(8-14)11(2)20/h3-9H,1-2H3,(H,19,21)
InChIKeyAZRPXYBLDQKSQG-UHFFFAOYSA-N
XLogP4.63
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-phenyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 8871070
4-methyl-N-(3-methylsulfonylphenyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 25497583
N-(3,5-dimethylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 17497475
N-(4-carbamoyl-3-chlorophenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 39170277
3-[4-methyl-5-(phenylcarbamoyl)-1,3-thiazol-2-yl]benzoic acid
CID 51115527
4-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 32915631
4-methyl-N-(3-methyl-2-pyridinyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 35033188
N-(4-cyclopentylsulfonylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 39177524
2-(4-fluorophenyl)-N-(3-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 78823798
N-cyano-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 79194223
N-(5-chloro-2-hydroxyphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 56581492
N-(3-chloro-2-propan-2-yloxyphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 86970907

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (CID 9078887) is N-(3-acetylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is CC(=O)c1cccc(NC(=O)c2sc(-c3ccsc3)nc2C)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is AZRPXYBLDQKSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S2/c1-10-15(23-17(18-10)13-6-7-22-9-13)16(21)19-14-5-3-4-12(8-14)11(2)20/h3-9H,1-2H3,(H,19,21).
What are the key properties of N-(3-acetylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
N-(3-acetylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 342.45 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 9078887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).