N-(4-acetylphenyl)-1,3-thiazole-2-carboxamide

C12H10N2O2S — CID 110696027

IUPACN-(4-acetylphenyl)-1,3-thiazole-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2nccs2)cc1
InChIInChI=1S/C12H10N2O2S/c1-8(15)9-2-4-10(5-3-9)14-11(16)12-13-6-7-17-12/h2-7H,1H3,(H,14,16)
InChIKeyAMGCZDAXPXJUJM-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.60
Rot. Bonds3

About N-(4-acetylphenyl)-1,3-thiazole-2-carboxamide

N-(4-acetylphenyl)-1,3-thiazole-2-carboxamide (PubChem CID 110696027) has the molecular formula C12H10N2O2S and a molecular weight of 246.29 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-1,3-thiazole-2-carboxamide
PubChem CID110696027
Molecular FormulaC12H10N2O2S
Molecular Weight246.29 g/mol
Exact Mass246.05
IUPAC NameN-(4-acetylphenyl)-1,3-thiazole-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2nccs2)cc1
InChIInChI=1S/C12H10N2O2S/c1-8(15)9-2-4-10(5-3-9)14-11(16)12-13-6-7-17-12/h2-7H,1H3,(H,14,16)
InChIKeyAMGCZDAXPXJUJM-UHFFFAOYSA-N
XLogP2.60
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-1,3-thiazole-2-carboxamide
CID 110696014
N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide
CID 110696023
N-(4-butylphenyl)-1,3-thiazole-2-carboxamide
CID 110486206
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
N-(4-acetylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24702385
N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-2-carboxamide
CID 42645473
N-(4-acetylphenyl)pyrazine-2-carboxamide
CID 803592
N-(4-acetylphenyl)-4-aminopyridine-2-carboxamide
CID 82299178
N-(4-acetylphenyl)thiophene-3-carboxamide
CID 24703153
N-(1-methylindazol-6-yl)-1,3-thiazole-2-carboxamide
CID 110467967
[4-[(4-methylbenzoyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide
CID 4747642
N-(5-methylthiophen-2-yl)-1,3-thiazole-2-carboxamide
CID 146277087

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-1,3-thiazole-2-carboxamide (CID 110696027) is N-(4-acetylphenyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-1,3-thiazole-2-carboxamide is CC(=O)c1ccc(NC(=O)c2nccs2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-1,3-thiazole-2-carboxamide?
The InChIKey is AMGCZDAXPXJUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S/c1-8(15)9-2-4-10(5-3-9)14-11(16)12-13-6-7-17-12/h2-7H,1H3,(H,14,16).
What are the key properties of N-(4-acetylphenyl)-1,3-thiazole-2-carboxamide?
N-(4-acetylphenyl)-1,3-thiazole-2-carboxamide has a molecular weight of 246.29 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 110696027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).