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

C13H12N2O2S — CID 24700938

IUPACN-(3-acetylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2scnc2C)c1
InChIInChI=1S/C13H12N2O2S/c1-8-12(18-7-14-8)13(17)15-11-5-3-4-10(6-11)9(2)16/h3-7H,1-2H3,(H,15,17)
InChIKeyBEFCVHGOIJNEIG-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.91
Rot. Bonds3

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

N-(3-acetylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 24700938) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID24700938
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC NameN-(3-acetylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2scnc2C)c1
InChIInChI=1S/C13H12N2O2S/c1-8-12(18-7-14-8)13(17)15-11-5-3-4-10(6-11)9(2)16/h3-7H,1-2H3,(H,15,17)
InChIKeyBEFCVHGOIJNEIG-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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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 24700938) is N-(3-acetylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is CC(=O)c1cccc(NC(=O)c2scnc2C)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is BEFCVHGOIJNEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-8-12(18-7-14-8)13(17)15-11-5-3-4-10(6-11)9(2)16/h3-7H,1-2H3,(H,15,17).
What are the key properties of N-(3-acetylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(3-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-(3-acetylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24700938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).