3-(1,2-thiazol-5-yl)butanoic acid

C7H9NO2S — CID 82598396

IUPAC3-(1,2-thiazol-5-yl)butanoic acid
SMILESCC(CC(=O)O)c1ccns1
InChIInChI=1S/C7H9NO2S/c1-5(4-7(9)10)6-2-3-8-11-6/h2-3,5H,4H2,1H3,(H,9,10)
InChIKeyPAQSFTULNMLHNB-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.72
Rot. Bonds3

About 3-(1,2-thiazol-5-yl)butanoic acid

3-(1,2-thiazol-5-yl)butanoic acid (PubChem CID 82598396) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is 3-(1,2-thiazol-5-yl)butanoic acid.

Molecular Properties

Compound Name3-(1,2-thiazol-5-yl)butanoic acid
PubChem CID82598396
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name3-(1,2-thiazol-5-yl)butanoic acid
SMILESCC(CC(=O)O)c1ccns1
InChIInChI=1S/C7H9NO2S/c1-5(4-7(9)10)6-2-3-8-11-6/h2-3,5H,4H2,1H3,(H,9,10)
InChIKeyPAQSFTULNMLHNB-UHFFFAOYSA-N
XLogP1.72
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1,2-thiazol-5-yl)butanoic 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-(1,2-Thiazol-5-yl)acetic acid
CID 20389339
2-Methyl-2-(1,2-thiazol-5-yl)propanoic acid
CID 82412108
2,2-Difluoro-3-(1,2-thiazol-5-yl)propanoic acid
CID 165462133
3-(Isothiazol-5-yl)propanoic acid
CID 82415931
Methyl 3-amino-3-(1,2-thiazol-5-yl)butanoate
CID 122538049
3-Amino-3-(1,2-thiazol-5-yl)butanoic acid
CID 122538051
methyl (3S)-3-amino-3-(1,2-thiazol-5-yl)butanoate
CID 122538052
2-Oxo-3-(1,2-thiazol-5-yl)propanoic acid
CID 139891815
2-Amino-3-(1,2-thiazol-5-yl)propanoic acid
CID 55267631
4-Hydroxy-2-(1,2-thiazol-5-yl)butanoic acid
CID 82405484
2-(Aminomethyl)-3-(1,2-thiazol-5-yl)propanoic acid
CID 82405816
2-[1-(1,2-Thiazol-5-yl)cyclopropyl]acetic acid
CID 82407144

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-thiazol-5-yl)butanoic acid?
The IUPAC name of 3-(1,2-thiazol-5-yl)butanoic acid (CID 82598396) is 3-(1,2-thiazol-5-yl)butanoic acid.
What is the SMILES notation for 3-(1,2-thiazol-5-yl)butanoic acid?
The canonical SMILES for 3-(1,2-thiazol-5-yl)butanoic acid is CC(CC(=O)O)c1ccns1.
What is the InChIKey of 3-(1,2-thiazol-5-yl)butanoic acid?
The InChIKey is PAQSFTULNMLHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-5(4-7(9)10)6-2-3-8-11-6/h2-3,5H,4H2,1H3,(H,9,10).
What are the key properties of 3-(1,2-thiazol-5-yl)butanoic acid?
3-(1,2-thiazol-5-yl)butanoic acid has a molecular weight of 171.22 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-thiazol-5-yl)butanoic acid is sourced from PubChem (CID 82598396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).