N-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide

C17H20N2O3S — CID 53482122

IUPACN-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCOc1ccc(C(C)=O)c(NC(=O)c2nc(C(C)C)cs2)c1C
InChIInChI=1S/C17H20N2O3S/c1-9(2)13-8-23-17(18-13)16(21)19-15-10(3)14(22-5)7-6-12(15)11(4)20/h6-9H,1-5H3,(H,19,21)
InChIKeyGZYNUOMXGGSXMI-UHFFFAOYSA-N
MW332.43 g/mol
LogP4.04
Rot. Bonds5

About N-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide

N-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide (PubChem CID 53482122) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide
PubChem CID53482122
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCOc1ccc(C(C)=O)c(NC(=O)c2nc(C(C)C)cs2)c1C
InChIInChI=1S/C17H20N2O3S/c1-9(2)13-8-23-17(18-13)16(21)19-15-10(3)14(22-5)7-6-12(15)11(4)20/h6-9H,1-5H3,(H,19,21)
InChIKeyGZYNUOMXGGSXMI-UHFFFAOYSA-N
XLogP4.04
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-Methoxy-8-methyl-2-(4-trifluoromethyl-thiazol-2-yl)-quinolin-4-ol
CID 56605152
N-(3-methoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 1081277
N-(2-Acetyl-5-methoxyphenyl)-2-((1-methylethyl)amino)-4-thiazolecarboxamide
CID 11953491
2-(4-Isopropylthiazol-2-YL)-7-methoxy-8-methylquinolin-4-OL
CID 53393377
1-[4-Methoxy-3-[[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]methyl]phenyl]ethanone
CID 75423287
N-(2-carbamoylphenyl)-2-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42639780
N-(6-acetyl-3-methoxy-2-methylphenyl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide
CID 56605151
8-Fluoro-4-hydroxy-2-(4-isopropylthiazole-2-yl)-7-methoxyquinoline
CID 57956408
2-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-N-(5-methoxy-2-phenylphenyl)-1,3-thiazole-4-carboxamide
CID 59209320
2-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]-N-(5-methoxy-2-phenylphenyl)-1,3-thiazole-4-carboxamide
CID 59210058
N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-trifluoromethylthiazole-2-carboxamide
CID 59434824
4-Methoxy-3-methyl-2-[(4-trifluoromethyl-thiazole-2-carbonyl)-amino]-benzoic acid
CID 59533407

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide (CID 53482122) is N-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide is COc1ccc(C(C)=O)c(NC(=O)c2nc(C(C)C)cs2)c1C.
What is the InChIKey of N-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The InChIKey is GZYNUOMXGGSXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-9(2)13-8-23-17(18-13)16(21)19-15-10(3)14(22-5)7-6-12(15)11(4)20/h6-9H,1-5H3,(H,19,21).
What are the key properties of N-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide?
N-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 53482122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).