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

C12H17NO2S — CID 116889289

IUPAC3-(2-cyclopentyl-1,3-thiazol-4-yl)-2-methylpropanoic acid
SMILESCC(Cc1csc(C2CCCC2)n1)C(=O)O
InChIInChI=1S/C12H17NO2S/c1-8(12(14)15)6-10-7-16-11(13-10)9-4-2-3-5-9/h7-9H,2-6H2,1H3,(H,14,15)
InChIKeyQSEFIUOEENUULG-UHFFFAOYSA-N
MW239.34 g/mol
LogP3.06
Rot. Bonds4

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

3-(2-cyclopentyl-1,3-thiazol-4-yl)-2-methylpropanoic acid (PubChem CID 116889289) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-(2-cyclopentyl-1,3-thiazol-4-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2-cyclopentyl-1,3-thiazol-4-yl)-2-methylpropanoic acid
PubChem CID116889289
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name3-(2-cyclopentyl-1,3-thiazol-4-yl)-2-methylpropanoic acid
SMILESCC(Cc1csc(C2CCCC2)n1)C(=O)O
InChIInChI=1S/C12H17NO2S/c1-8(12(14)15)6-10-7-16-11(13-10)9-4-2-3-5-9/h7-9H,2-6H2,1H3,(H,14,15)
InChIKeyQSEFIUOEENUULG-UHFFFAOYSA-N
XLogP3.06
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-cyclopentyl-1,3-thiazol-4-yl)-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclobutyl-4-(2-methylpropyl)-1,3-thiazole
CID 130891959
3-(2-cyclopentyl-1,3-thiazol-4-yl)-2-methylpropan-1-amine
CID 116888387
2-(2-cyclopentyl-1,3-thiazol-4-yl)acetic acid
CID 60922034
2-(2-cyclohexyl-1,3-thiazol-4-yl)-1-phenylethanol
CID 62364984
3-(2-cyclobutyl-1,3-thiazol-4-yl)-2,2-dimethylpropanoic acid
CID 116889315
4-(2-cyclobutyl-1,3-thiazol-4-yl)butan-2-one
CID 116890297
2-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]propanoic acid
CID 119135138
2-(2-cyclohexyl-1,3-thiazol-4-yl)-1-phenylethanone
CID 62367219
ethyl 2-(2-cyclooctyl-1,3-thiazol-4-yl)acetate
CID 80602146
2-(2-cyclopentyl-1,3-thiazol-4-yl)-2-(methylamino)acetic acid
CID 116891647
1-(2-cyclohexyl-1,3-thiazol-4-yl)-N-methylmethanamine
CID 61280857
ethyl 3-(2-cyclohexyl-1,3-thiazol-4-yl)propanoate
CID 103485101

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopentyl-1,3-thiazol-4-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(2-cyclopentyl-1,3-thiazol-4-yl)-2-methylpropanoic acid (CID 116889289) is 3-(2-cyclopentyl-1,3-thiazol-4-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(2-cyclopentyl-1,3-thiazol-4-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(2-cyclopentyl-1,3-thiazol-4-yl)-2-methylpropanoic acid is CC(Cc1csc(C2CCCC2)n1)C(=O)O.
What is the InChIKey of 3-(2-cyclopentyl-1,3-thiazol-4-yl)-2-methylpropanoic acid?
The InChIKey is QSEFIUOEENUULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-8(12(14)15)6-10-7-16-11(13-10)9-4-2-3-5-9/h7-9H,2-6H2,1H3,(H,14,15).
What are the key properties of 3-(2-cyclopentyl-1,3-thiazol-4-yl)-2-methylpropanoic acid?
3-(2-cyclopentyl-1,3-thiazol-4-yl)-2-methylpropanoic acid has a molecular weight of 239.34 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopentyl-1,3-thiazol-4-yl)-2-methylpropanoic acid is sourced from PubChem (CID 116889289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).