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

C9H11NO2S — CID 130898178

IUPAC2-(1,2-thiazol-3-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1c1ccsn1
InChIInChI=1S/C9H11NO2S/c11-9(12)7-3-1-2-6(7)8-4-5-13-10-8/h4-7H,1-3H2,(H,11,12)
InChIKeyALHJOBWKJMQGPZ-UHFFFAOYSA-N
MW197.26 g/mol
LogP2.11
Rot. Bonds2

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

2-(1,2-thiazol-3-yl)cyclopentane-1-carboxylic acid (PubChem CID 130898178) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 2-(1,2-thiazol-3-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1,2-thiazol-3-yl)cyclopentane-1-carboxylic acid
PubChem CID130898178
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name2-(1,2-thiazol-3-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1c1ccsn1
InChIInChI=1S/C9H11NO2S/c11-9(12)7-3-1-2-6(7)8-4-5-13-10-8/h4-7H,1-3H2,(H,11,12)
InChIKeyALHJOBWKJMQGPZ-UHFFFAOYSA-N
XLogP2.11
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-thiophen-2-ylcyclopentane-1-carboxylic acid
CID 81008433
2-thiophen-2-ylcyclohexane-1-carboxylic acid
CID 79014995
2-(3-amino-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid
CID 103980129
2-(2,6-difluorophenyl)cyclopentane-1-carboxylic acid
CID 81008993
2-([1,3]thiazolo[5,4-b]pyridin-2-yl)cyclopentane-1-carboxylic acid
CID 103979407
cyclobutyl(1,2-thiazol-3-yl)methanone
CID 130693406
2-(3-methoxypyrazin-2-yl)cyclohexane-1-carboxylic acid
CID 104516749
2-(5-amino-1-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid
CID 104605775
2-[4-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
CID 81007862
2-(3-bromofuran-2-yl)cyclopentane-1-carboxylic acid
CID 81009088
trans-(1R,2R)-2-(4-bromophenyl)cyclohexane-1-carboxylic acid
CID 71385887
trans-(1R,2R)-2-(4-methylphenyl)cyclohexane-1-carboxylic acid
CID 54256967

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-thiazol-3-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(1,2-thiazol-3-yl)cyclopentane-1-carboxylic acid (CID 130898178) is 2-(1,2-thiazol-3-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(1,2-thiazol-3-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(1,2-thiazol-3-yl)cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1c1ccsn1.
What is the InChIKey of 2-(1,2-thiazol-3-yl)cyclopentane-1-carboxylic acid?
The InChIKey is ALHJOBWKJMQGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c11-9(12)7-3-1-2-6(7)8-4-5-13-10-8/h4-7H,1-3H2,(H,11,12).
What are the key properties of 2-(1,2-thiazol-3-yl)cyclopentane-1-carboxylic acid?
2-(1,2-thiazol-3-yl)cyclopentane-1-carboxylic acid has a molecular weight of 197.26 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-thiazol-3-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 130898178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).