1-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid

C16H22N2O3S — CID 119176594

IUPAC1-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1nc(C2CCCC2)sc1C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C16H22N2O3S/c1-10-12(22-14(17-10)11-6-2-3-7-11)13(19)18-16(15(20)21)8-4-5-9-16/h11H,2-9H2,1H3,(H,18,19)(H,20,21)
InChIKeyQVAOVISSDXHLJD-UHFFFAOYSA-N
MW322.43 g/mol
LogP3.24
Rot. Bonds4

About 1-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid

1-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 119176594) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID119176594
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name1-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1nc(C2CCCC2)sc1C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C16H22N2O3S/c1-10-12(22-14(17-10)11-6-2-3-7-11)13(19)18-16(15(20)21)8-4-5-9-16/h11H,2-9H2,1H3,(H,18,19)(H,20,21)
InChIKeyQVAOVISSDXHLJD-UHFFFAOYSA-N
XLogP3.24
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119113815
N-(3-cyanothiolan-3-yl)-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide
CID 71994980
2-cyclobutyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 64982497
2-cyclopentyl-4-methyl-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119433713
2-cyclopentyl-4-methyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119503859
1-[[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 119176691
7-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]heptanoic acid
CID 119227413
N-[2-(aminomethyl)cyclohexyl]-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide
CID 119612126
1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 43341636
3-[3-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclobutyl]propanoic acid
CID 154845596
2-[2-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]acetic acid
CID 119218384
2-cyclopentyl-4-methyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119428648

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 119176594) is 1-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid is Cc1nc(C2CCCC2)sc1C(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is QVAOVISSDXHLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-10-12(22-14(17-10)11-6-2-3-7-11)13(19)18-16(15(20)21)8-4-5-9-16/h11H,2-9H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 1-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
1-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 322.43 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 119176594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).