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

C13H12N2O2S — CID 24702385

IUPACN-(4-acetylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2scnc2C)cc1
InChIInChI=1S/C13H12N2O2S/c1-8-12(18-7-14-8)13(17)15-11-5-3-10(4-6-11)9(2)16/h3-7H,1-2H3,(H,15,17)
InChIKeyHWDDCEXDCGDFNT-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.91
Rot. Bonds3

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

N-(4-acetylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 24702385) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID24702385
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC NameN-(4-acetylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2scnc2C)cc1
InChIInChI=1S/C13H12N2O2S/c1-8-12(18-7-14-8)13(17)15-11-5-3-10(4-6-11)9(2)16/h3-7H,1-2H3,(H,15,17)
InChIKeyHWDDCEXDCGDFNT-UHFFFAOYSA-N
XLogP2.91
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47035313
4-methyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-5-carboxamide
CID 47035824
(E)-3-[4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]prop-2-enoic acid
CID 43654539
N-(3-fluoro-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 64782010
N-(3-amino-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 18072743
2-hydroxy-5-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 24697420
4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 71938362
N-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 99827913
3-(4-acetylphenyl)-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 63823278
N-(4-acetylphenyl)-1,3-thiazole-2-carboxamide
CID 110696027
4-methyl-N-(6-phenoxy-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 47789215
N-(3-carbamothioyl-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55057585

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 24702385) is N-(4-acetylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is CC(=O)c1ccc(NC(=O)c2scnc2C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is HWDDCEXDCGDFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-8-12(18-7-14-8)13(17)15-11-5-3-10(4-6-11)9(2)16/h3-7H,1-2H3,(H,15,17).
What are the key properties of N-(4-acetylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(4-acetylphenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 260.32 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24702385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).