5-[(2-methylcyclopentyl)methylcarbamoyl]-1,3-thiazole-2-carboxylic acid

C12H16N2O3S — CID 114267579

IUPAC5-[(2-methylcyclopentyl)methylcarbamoyl]-1,3-thiazole-2-carboxylic acid
SMILESCC1CCCC1CNC(=O)c1cnc(C(=O)O)s1
InChIInChI=1S/C12H16N2O3S/c1-7-3-2-4-8(7)5-13-10(15)9-6-14-11(18-9)12(16)17/h6-8H,2-5H2,1H3,(H,13,15)(H,16,17)
InChIKeyXMGPKRLBYIWNRQ-UHFFFAOYSA-N
MW268.34 g/mol
LogP2.01
Rot. Bonds4

About 5-[(2-methylcyclopentyl)methylcarbamoyl]-1,3-thiazole-2-carboxylic acid

5-[(2-methylcyclopentyl)methylcarbamoyl]-1,3-thiazole-2-carboxylic acid (PubChem CID 114267579) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 5-[(2-methylcyclopentyl)methylcarbamoyl]-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methylcyclopentyl)methylcarbamoyl]-1,3-thiazole-2-carboxylic acid
PubChem CID114267579
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name5-[(2-methylcyclopentyl)methylcarbamoyl]-1,3-thiazole-2-carboxylic acid
SMILESCC1CCCC1CNC(=O)c1cnc(C(=O)O)s1
InChIInChI=1S/C12H16N2O3S/c1-7-3-2-4-8(7)5-13-10(15)9-6-14-11(18-9)12(16)17/h6-8H,2-5H2,1H3,(H,13,15)(H,16,17)
InChIKeyXMGPKRLBYIWNRQ-UHFFFAOYSA-N
XLogP2.01
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-Propan-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid
CID 69471406
4-[[(2-Methyl-1,3-thiazole-5-carbonyl)amino]methyl]piperidine-1-carboxylic acid
CID 140456171
2-tert-butyl-N-(3-cyclopentylpropyl)-1,3-thiazole-5-carboxamide
CID 56071536
N-(2-cyclopentyl-2-hydroxyethyl)-2-propyl-1,3-thiazole-5-carboxamide
CID 71991154
2-[(3R,4S)-3-[(2-methyl-1,3-thiazole-5-carbonyl)amino]-4-propan-2-ylpyrrolidin-1-yl]acetic acid
CID 86283581
N-[(2R)-2-cyclopentyl-2-hydroxyethyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 97580802
N-[(2S)-2-cyclopentyl-2-hydroxyethyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 97580803
1-[(2-Methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 103790208
4-Methyl-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 103790391
(2S,3S)-3-methyl-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 103790449
3-Methyl-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 103790710
(2S)-4-methyl-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 103804196

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylcyclopentyl)methylcarbamoyl]-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 5-[(2-methylcyclopentyl)methylcarbamoyl]-1,3-thiazole-2-carboxylic acid (CID 114267579) is 5-[(2-methylcyclopentyl)methylcarbamoyl]-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 5-[(2-methylcyclopentyl)methylcarbamoyl]-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 5-[(2-methylcyclopentyl)methylcarbamoyl]-1,3-thiazole-2-carboxylic acid is CC1CCCC1CNC(=O)c1cnc(C(=O)O)s1.
What is the InChIKey of 5-[(2-methylcyclopentyl)methylcarbamoyl]-1,3-thiazole-2-carboxylic acid?
The InChIKey is XMGPKRLBYIWNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-7-3-2-4-8(7)5-13-10(15)9-6-14-11(18-9)12(16)17/h6-8H,2-5H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 5-[(2-methylcyclopentyl)methylcarbamoyl]-1,3-thiazole-2-carboxylic acid?
5-[(2-methylcyclopentyl)methylcarbamoyl]-1,3-thiazole-2-carboxylic acid has a molecular weight of 268.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylcyclopentyl)methylcarbamoyl]-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 114267579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).