2-(4-cyclopentyl-1,3-thiazol-2-yl)acetic acid

C10H13NO2S — CID 5221819

IUPAC2-(4-cyclopentyl-1,3-thiazol-2-yl)acetic acid
SMILESO=C(O)Cc1nc(C2CCCC2)cs1
InChIInChI=1S/C10H13NO2S/c12-10(13)5-9-11-8(6-14-9)7-3-1-2-4-7/h6-7H,1-5H2,(H,12,13)
InChIKeyBAZUOQRHUNLPEN-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.43
Rot. Bonds3

About 2-(4-cyclopentyl-1,3-thiazol-2-yl)acetic acid

2-(4-cyclopentyl-1,3-thiazol-2-yl)acetic acid (PubChem CID 5221819) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-(4-cyclopentyl-1,3-thiazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-cyclopentyl-1,3-thiazol-2-yl)acetic acid
PubChem CID5221819
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name2-(4-cyclopentyl-1,3-thiazol-2-yl)acetic acid
SMILESO=C(O)Cc1nc(C2CCCC2)cs1
InChIInChI=1S/C10H13NO2S/c12-10(13)5-9-11-8(6-14-9)7-3-1-2-4-7/h6-7H,1-5H2,(H,12,13)
InChIKeyBAZUOQRHUNLPEN-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentyl-1,3-thiazol-2-yl)acetic acid?
The IUPAC name of 2-(4-cyclopentyl-1,3-thiazol-2-yl)acetic acid (CID 5221819) is 2-(4-cyclopentyl-1,3-thiazol-2-yl)acetic acid.
What is the SMILES notation for 2-(4-cyclopentyl-1,3-thiazol-2-yl)acetic acid?
The canonical SMILES for 2-(4-cyclopentyl-1,3-thiazol-2-yl)acetic acid is O=C(O)Cc1nc(C2CCCC2)cs1.
What is the InChIKey of 2-(4-cyclopentyl-1,3-thiazol-2-yl)acetic acid?
The InChIKey is BAZUOQRHUNLPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c12-10(13)5-9-11-8(6-14-9)7-3-1-2-4-7/h6-7H,1-5H2,(H,12,13).
What are the key properties of 2-(4-cyclopentyl-1,3-thiazol-2-yl)acetic acid?
2-(4-cyclopentyl-1,3-thiazol-2-yl)acetic acid has a molecular weight of 211.29 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentyl-1,3-thiazol-2-yl)acetic acid is sourced from PubChem (CID 5221819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).