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

C18H22N4O2S — CID 11417033

IUPAC2-(cyclopentylamino)-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1ccc(C)c(NC(=O)c2cnc(NC3CCCC3)s2)c1
InChIInChI=1S/C18H22N4O2S/c1-11-7-8-12(16(23)19-2)9-14(11)22-17(24)15-10-20-18(25-15)21-13-5-3-4-6-13/h7-10,13H,3-6H2,1-2H3,(H,19,23)(H,20,21)(H,22,24)
InChIKeyWPSXQBZCCMJEIP-UHFFFAOYSA-N
MW358.47 g/mol
LogP3.42
Rot. Bonds5

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

2-(cyclopentylamino)-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 11417033) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 2-(cyclopentylamino)-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(cyclopentylamino)-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID11417033
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name2-(cyclopentylamino)-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1ccc(C)c(NC(=O)c2cnc(NC3CCCC3)s2)c1
InChIInChI=1S/C18H22N4O2S/c1-11-7-8-12(16(23)19-2)9-14(11)22-17(24)15-10-20-18(25-15)21-13-5-3-4-6-13/h7-10,13H,3-6H2,1-2H3,(H,19,23)(H,20,21)(H,22,24)
InChIKeyWPSXQBZCCMJEIP-UHFFFAOYSA-N
XLogP3.42
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 11186612
3-(cycloheptylamino)-N,4-dimethylbenzamide
CID 43726864
2-bromo-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1,3-thiazole-5-carboxamide
CID 58786259
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[[(1S)-1-phenylethyl]amino]-1,3-thiazole-5-carboxamide
CID 11750521
2-(cyclopropylamino)-N-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,3-thiazole-5-carboxamide
CID 11671413
6-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 46439271
3-[(4-aminocyclohexyl)amino]-N,4-dimethylbenzamide
CID 79730916
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
3-benzamido-N,4-dimethylbenzamide
CID 17226324
2-(cyclopropylamino)-N-methoxy-1,3-thiazole-5-carboxamide
CID 130637977
5-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide
CID 63998435

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(cyclopentylamino)-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide (CID 11417033) is 2-(cyclopentylamino)-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(cyclopentylamino)-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(cyclopentylamino)-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide is CNC(=O)c1ccc(C)c(NC(=O)c2cnc(NC3CCCC3)s2)c1.
What is the InChIKey of 2-(cyclopentylamino)-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is WPSXQBZCCMJEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-11-7-8-12(16(23)19-2)9-14(11)22-17(24)15-10-20-18(25-15)21-13-5-3-4-6-13/h7-10,13H,3-6H2,1-2H3,(H,19,23)(H,20,21)(H,22,24).
What are the key properties of 2-(cyclopentylamino)-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide?
2-(cyclopentylamino)-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 3.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 11417033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).