2-cyclopentyl-4-methyl-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide

C16H26N4OS — CID 119448744

IUPAC2-cyclopentyl-4-methyl-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C2CCCC2)sc1C(=O)NCCN1CCNCC1
InChIInChI=1S/C16H26N4OS/c1-12-14(22-16(19-12)13-4-2-3-5-13)15(21)18-8-11-20-9-6-17-7-10-20/h13,17H,2-11H2,1H3,(H,18,21)
InChIKeyMAGCKLKNZJHVKW-UHFFFAOYSA-N
MW322.48 g/mol
LogP1.74
Rot. Bonds5

About 2-cyclopentyl-4-methyl-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide

2-cyclopentyl-4-methyl-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 119448744) has the molecular formula C16H26N4OS and a molecular weight of 322.48 g/mol. Its IUPAC name is 2-cyclopentyl-4-methyl-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-cyclopentyl-4-methyl-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID119448744
Molecular FormulaC16H26N4OS
Molecular Weight322.48 g/mol
Exact Mass322.18
IUPAC Name2-cyclopentyl-4-methyl-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C2CCCC2)sc1C(=O)NCCN1CCNCC1
InChIInChI=1S/C16H26N4OS/c1-12-14(22-16(19-12)13-4-2-3-5-13)15(21)18-8-11-20-9-6-17-7-10-20/h13,17H,2-11H2,1H3,(H,18,21)
InChIKeyMAGCKLKNZJHVKW-UHFFFAOYSA-N
XLogP1.74
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopentyl-4-methyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119503859
2-cyclopentyl-4-methyl-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119433713
2-cyclopentyl-4-methyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119428648
7-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]heptanoic acid
CID 119227413
4-methyl-2-piperidin-4-yl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 138030931
N-butyl-2-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide
CID 110694293
2-(5-chlorothiophen-2-yl)-4-methyl-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 119445691
2-(4-ethoxyphenyl)-4-methyl-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 119445035
(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(2-methylpiperazin-1-yl)methanone
CID 119473197
2,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide
CID 94115528
N-(1-amino-4-methylpentan-2-yl)-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide
CID 119588404
2-cyclobutyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 64982497

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-methyl-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-cyclopentyl-4-methyl-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide (CID 119448744) is 2-cyclopentyl-4-methyl-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-cyclopentyl-4-methyl-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-cyclopentyl-4-methyl-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide is Cc1nc(C2CCCC2)sc1C(=O)NCCN1CCNCC1.
What is the InChIKey of 2-cyclopentyl-4-methyl-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is MAGCKLKNZJHVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4OS/c1-12-14(22-16(19-12)13-4-2-3-5-13)15(21)18-8-11-20-9-6-17-7-10-20/h13,17H,2-11H2,1H3,(H,18,21).
What are the key properties of 2-cyclopentyl-4-methyl-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide?
2-cyclopentyl-4-methyl-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 322.48 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-methyl-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 119448744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).