2-methyl-1-(1,3-thiazol-2-yl)cyclopentane-1-carboxylic acid

C10H13NO2S — CID 130948762

IUPAC2-methyl-1-(1,3-thiazol-2-yl)cyclopentane-1-carboxylic acid
SMILESCC1CCCC1(C(=O)O)c1nccs1
InChIInChI=1S/C10H13NO2S/c1-7-3-2-4-10(7,9(12)13)8-11-5-6-14-8/h5-7H,2-4H2,1H3,(H,12,13)
InChIKeyJVRXEGQPMORGNY-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.29
Rot. Bonds2

About 2-methyl-1-(1,3-thiazol-2-yl)cyclopentane-1-carboxylic acid

2-methyl-1-(1,3-thiazol-2-yl)cyclopentane-1-carboxylic acid (PubChem CID 130948762) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-methyl-1-(1,3-thiazol-2-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(1,3-thiazol-2-yl)cyclopentane-1-carboxylic acid
PubChem CID130948762
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name2-methyl-1-(1,3-thiazol-2-yl)cyclopentane-1-carboxylic acid
SMILESCC1CCCC1(C(=O)O)c1nccs1
InChIInChI=1S/C10H13NO2S/c1-7-3-2-4-10(7,9(12)13)8-11-5-6-14-8/h5-7H,2-4H2,1H3,(H,12,13)
InChIKeyJVRXEGQPMORGNY-UHFFFAOYSA-N
XLogP2.29
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 67257074
trans-(1S,4R)-4-hydroxy-1,2,2-trimethyl-4-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid
CID 67430749
1-(3,4-dimethylphenyl)-2-methylcyclopentane-1-carboxylic acid
CID 79679799
trans-(1S,2S)-1-methyl-2-(1,3-thiazole-2-carbonyl)cyclopentane-1-carboxylic acid
CID 69242625
methyl (1R,2R,4S)-4-hydroxy-2-methyl-4-(1,3-thiazol-2-yl)cyclohexane-1-carboxylate
CID 67431211
4-tert-butyl-1-(1,3-thiazol-2-yl)cyclohexan-1-ol
CID 59743902
4-hydroxy-2,2,3-trimethyl-3-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid
CID 67258262
methyl 1-(1,3-thiazol-2-yl)cyclohexane-1-carboxylate
CID 125113185
N,3-dimethyl-4-(1,3-thiazol-2-yl)piperidin-4-amine
CID 114501724
trans-methyl (1R,4R)-4-hydroxy-2,2-dimethyl-4-(1,3-thiazol-2-yl)cyclohexane-1-carboxylate
CID 67432735
(4R)-1-tert-butyl-4-hydroxy-4-(1,3-thiazol-2-yl)azepan-1-ium-1-carboxylic acid
CID 67258770
4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexan-1-one
CID 59017437

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1,3-thiazol-2-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-methyl-1-(1,3-thiazol-2-yl)cyclopentane-1-carboxylic acid (CID 130948762) is 2-methyl-1-(1,3-thiazol-2-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(1,3-thiazol-2-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-methyl-1-(1,3-thiazol-2-yl)cyclopentane-1-carboxylic acid is CC1CCCC1(C(=O)O)c1nccs1.
What is the InChIKey of 2-methyl-1-(1,3-thiazol-2-yl)cyclopentane-1-carboxylic acid?
The InChIKey is JVRXEGQPMORGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-7-3-2-4-10(7,9(12)13)8-11-5-6-14-8/h5-7H,2-4H2,1H3,(H,12,13).
What are the key properties of 2-methyl-1-(1,3-thiazol-2-yl)cyclopentane-1-carboxylic acid?
2-methyl-1-(1,3-thiazol-2-yl)cyclopentane-1-carboxylic acid has a molecular weight of 211.29 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1,3-thiazol-2-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 130948762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).