2-(1,2-thiazol-5-ylmethyl)cyclopentane-1-carboxylic acid

C10H13NO2S — CID 164652998

IUPAC2-(1,2-thiazol-5-ylmethyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1Cc1ccns1
InChIInChI=1S/C10H13NO2S/c12-10(13)9-3-1-2-7(9)6-8-4-5-11-14-8/h4-5,7,9H,1-3,6H2,(H,12,13)
InChIKeyLUIIOACUZNPPCC-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.19
Rot. Bonds3

About 2-(1,2-thiazol-5-ylmethyl)cyclopentane-1-carboxylic acid

2-(1,2-thiazol-5-ylmethyl)cyclopentane-1-carboxylic acid (PubChem CID 164652998) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-(1,2-thiazol-5-ylmethyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1,2-thiazol-5-ylmethyl)cyclopentane-1-carboxylic acid
PubChem CID164652998
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name2-(1,2-thiazol-5-ylmethyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1Cc1ccns1
InChIInChI=1S/C10H13NO2S/c12-10(13)9-3-1-2-7(9)6-8-4-5-11-14-8/h4-5,7,9H,1-3,6H2,(H,12,13)
InChIKeyLUIIOACUZNPPCC-UHFFFAOYSA-N
XLogP2.19
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chlorothiophen-2-yl)methyl]cyclopentane-1-carboxylic acid
CID 81008089
cis-(1S,2R)-2-(pyridin-4-ylmethyl)cyclohexane-1-carboxylic acid
CID 57247235
cis-(1R,2S)-2-benzylcyclohexane-1-carboxylic acid
CID 71363465
cis-(1S,2R)-2-[(3,5-dimethoxyphenyl)methyl]cyclopentane-1-carboxylic acid
CID 125472183
2-[(5-bromofuran-3-yl)methyl]cyclopentane-1-carboxylic acid
CID 130877489
2-(quinolin-4-ylmethyl)cyclohexane-1-carboxylic acid
CID 81007961
2-[(4-ethylphenyl)methyl]cycloheptane-1-carboxylic acid
CID 81009224
2-[(4-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxylic acid
CID 114862572
2-[(2-chlorophenyl)methyl]cyclohexane-1-carboxylic acid
CID 81008869
(2S)-2-ethylcyclopentane-1-carboxylic acid
CID 59114270
trans-(1R,2S)-2-(fluoromethyl)cyclopentane-1-carboxylic acid
CID 96581659
2-[(3-chloro-4-fluorophenyl)methyl]cyclopentane-1-carboxylic acid
CID 103042286

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-thiazol-5-ylmethyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(1,2-thiazol-5-ylmethyl)cyclopentane-1-carboxylic acid (CID 164652998) is 2-(1,2-thiazol-5-ylmethyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(1,2-thiazol-5-ylmethyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(1,2-thiazol-5-ylmethyl)cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1Cc1ccns1.
What is the InChIKey of 2-(1,2-thiazol-5-ylmethyl)cyclopentane-1-carboxylic acid?
The InChIKey is LUIIOACUZNPPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c12-10(13)9-3-1-2-7(9)6-8-4-5-11-14-8/h4-5,7,9H,1-3,6H2,(H,12,13).
What are the key properties of 2-(1,2-thiazol-5-ylmethyl)cyclopentane-1-carboxylic acid?
2-(1,2-thiazol-5-ylmethyl)cyclopentane-1-carboxylic acid has a molecular weight of 211.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-thiazol-5-ylmethyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 164652998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).