N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(propylamino)-1,3-thiazole-5-carboxamide

C16H20N4O2S — CID 11186612

IUPACN-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCNc1ncc(C(=O)Nc2cc(C(=O)NC)ccc2C)s1
InChIInChI=1S/C16H20N4O2S/c1-4-7-18-16-19-9-13(23-16)15(22)20-12-8-11(14(21)17-3)6-5-10(12)2/h5-6,8-9H,4,7H2,1-3H3,(H,17,21)(H,18,19)(H,20,22)
InChIKeyRPWKWRDKUGCMCL-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.89
Rot. Bonds6

About N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(propylamino)-1,3-thiazole-5-carboxamide

N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(propylamino)-1,3-thiazole-5-carboxamide (PubChem CID 11186612) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(propylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
PubChem CID11186612
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCNc1ncc(C(=O)Nc2cc(C(=O)NC)ccc2C)s1
InChIInChI=1S/C16H20N4O2S/c1-4-7-18-16-19-9-13(23-16)15(22)20-12-8-11(14(21)17-3)6-5-10(12)2/h5-6,8-9H,4,7H2,1-3H3,(H,17,21)(H,18,19)(H,20,22)
InChIKeyRPWKWRDKUGCMCL-UHFFFAOYSA-N
XLogP2.89
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(propylamino)-1,3-thiazole-5-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

2-(cyclopentylamino)-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 11417033
6-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 46439271
1-[2-(propylamino)-1,3-thiazol-5-yl]ethanone
CID 58688654
3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-(propylamino)benzamide
CID 63210151
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[[(1S)-1-phenylethyl]amino]-1,3-thiazole-5-carboxamide
CID 11750521
3-(butylamino)-N,4-dimethylbenzamide
CID 43726955
2-bromo-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1,3-thiazole-5-carboxamide
CID 58786259
5-chloro-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 107246307
4-methyl-3-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 120522326
propyl N-[2-methyl-5-(methylcarbamoyl)phenyl]carbamate
CID 112738727
3-benzamido-N,4-dimethylbenzamide
CID 17226324
N-(2,5-dimethylphenyl)-2-(propylamino)pyrimidine-5-carboxamide
CID 109246763

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(propylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(propylamino)-1,3-thiazole-5-carboxamide (CID 11186612) is N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(propylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(propylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(propylamino)-1,3-thiazole-5-carboxamide is CCCNc1ncc(C(=O)Nc2cc(C(=O)NC)ccc2C)s1.
What is the InChIKey of N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(propylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is RPWKWRDKUGCMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-4-7-18-16-19-9-13(23-16)15(22)20-12-8-11(14(21)17-3)6-5-10(12)2/h5-6,8-9H,4,7H2,1-3H3,(H,17,21)(H,18,19)(H,20,22).
What are the key properties of N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(propylamino)-1,3-thiazole-5-carboxamide?
N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(propylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 2.89, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(propylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 11186612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).