3-(1,3-thiazol-2-ylamino)propanoic acid

C6H8N2O2S — CID 10559109

IUPAC3-(1,3-thiazol-2-ylamino)propanoic acid
SMILESO=C(O)CCNc1nccs1
InChIInChI=1S/C6H8N2O2S/c9-5(10)1-2-7-6-8-3-4-11-6/h3-4H,1-2H2,(H,7,8)(H,9,10)
InChIKeyZIMLUKOGXLTYJJ-UHFFFAOYSA-N
MW172.21 g/mol
LogP1.03
Rot. Bonds4

About 3-(1,3-thiazol-2-ylamino)propanoic acid

3-(1,3-thiazol-2-ylamino)propanoic acid (PubChem CID 10559109) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-ylamino)propanoic acid.

Molecular Properties

Compound Name3-(1,3-thiazol-2-ylamino)propanoic acid
PubChem CID10559109
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name3-(1,3-thiazol-2-ylamino)propanoic acid
SMILESO=C(O)CCNc1nccs1
InChIInChI=1S/C6H8N2O2S/c9-5(10)1-2-7-6-8-3-4-11-6/h3-4H,1-2H2,(H,7,8)(H,9,10)
InChIKeyZIMLUKOGXLTYJJ-UHFFFAOYSA-N
XLogP1.03
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(1,3-thiazol-2-ylamino)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-(1,3-thiazol-2-ylamino)propanoic acid?
The IUPAC name of 3-(1,3-thiazol-2-ylamino)propanoic acid (CID 10559109) is 3-(1,3-thiazol-2-ylamino)propanoic acid.
What is the SMILES notation for 3-(1,3-thiazol-2-ylamino)propanoic acid?
The canonical SMILES for 3-(1,3-thiazol-2-ylamino)propanoic acid is O=C(O)CCNc1nccs1.
What is the InChIKey of 3-(1,3-thiazol-2-ylamino)propanoic acid?
The InChIKey is ZIMLUKOGXLTYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c9-5(10)1-2-7-6-8-3-4-11-6/h3-4H,1-2H2,(H,7,8)(H,9,10).
What are the key properties of 3-(1,3-thiazol-2-ylamino)propanoic acid?
3-(1,3-thiazol-2-ylamino)propanoic acid has a molecular weight of 172.21 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-ylamino)propanoic acid is sourced from PubChem (CID 10559109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).