3-(5-chloro-1,3,4-thiadiazol-2-yl)propanoic acid

C5H5ClN2O2S — CID 83878243

IUPAC3-(5-chloro-1,3,4-thiadiazol-2-yl)propanoic acid
SMILESO=C(O)CCc1nnc(Cl)s1
InChIInChI=1S/C5H5ClN2O2S/c6-5-8-7-3(11-5)1-2-4(9)10/h1-2H2,(H,9,10)
InChIKeyIYSRKTSQHNLNFI-UHFFFAOYSA-N
MW192.63 g/mol
LogP1.21
Rot. Bonds3

About 3-(5-chloro-1,3,4-thiadiazol-2-yl)propanoic acid

3-(5-chloro-1,3,4-thiadiazol-2-yl)propanoic acid (PubChem CID 83878243) has the molecular formula C5H5ClN2O2S and a molecular weight of 192.63 g/mol. Its IUPAC name is 3-(5-chloro-1,3,4-thiadiazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-chloro-1,3,4-thiadiazol-2-yl)propanoic acid
PubChem CID83878243
Molecular FormulaC5H5ClN2O2S
Molecular Weight192.63 g/mol
Exact Mass191.98
IUPAC Name3-(5-chloro-1,3,4-thiadiazol-2-yl)propanoic acid
SMILESO=C(O)CCc1nnc(Cl)s1
InChIInChI=1S/C5H5ClN2O2S/c6-5-8-7-3(11-5)1-2-4(9)10/h1-2H2,(H,9,10)
InChIKeyIYSRKTSQHNLNFI-UHFFFAOYSA-N
XLogP1.21
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.63
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(5-chloro-1,3,4-thiadiazol-2-yl)propanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1,3,4-thiadiazol-2-yl)propanoic acid?
The IUPAC name of 3-(5-chloro-1,3,4-thiadiazol-2-yl)propanoic acid (CID 83878243) is 3-(5-chloro-1,3,4-thiadiazol-2-yl)propanoic acid.
What is the SMILES notation for 3-(5-chloro-1,3,4-thiadiazol-2-yl)propanoic acid?
The canonical SMILES for 3-(5-chloro-1,3,4-thiadiazol-2-yl)propanoic acid is O=C(O)CCc1nnc(Cl)s1.
What is the InChIKey of 3-(5-chloro-1,3,4-thiadiazol-2-yl)propanoic acid?
The InChIKey is IYSRKTSQHNLNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2O2S/c6-5-8-7-3(11-5)1-2-4(9)10/h1-2H2,(H,9,10).
What are the key properties of 3-(5-chloro-1,3,4-thiadiazol-2-yl)propanoic acid?
3-(5-chloro-1,3,4-thiadiazol-2-yl)propanoic acid has a molecular weight of 192.63 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1,3,4-thiadiazol-2-yl)propanoic acid is sourced from PubChem (CID 83878243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).