2-amino-3-(1,3-thiazol-2-yl)propanoic acid

C6H8N2O2S — CID 4684973

IUPAC2-amino-3-(1,3-thiazol-2-yl)propanoic acid
SMILESNC(Cc1nccs1)C(=O)O
InChIInChI=1S/C6H8N2O2S/c7-4(6(9)10)3-5-8-1-2-11-5/h1-2,4H,3,7H2,(H,9,10)
InChIKeyPXFXXRSFSGRBRT-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.10
Rot. Bonds3

About 2-amino-3-(1,3-thiazol-2-yl)propanoic acid

2-amino-3-(1,3-thiazol-2-yl)propanoic acid (PubChem CID 4684973) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is 2-amino-3-(1,3-thiazol-2-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(1,3-thiazol-2-yl)propanoic acid
PubChem CID4684973
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name2-amino-3-(1,3-thiazol-2-yl)propanoic acid
SMILESNC(Cc1nccs1)C(=O)O
InChIInChI=1S/C6H8N2O2S/c7-4(6(9)10)3-5-8-1-2-11-5/h1-2,4H,3,7H2,(H,9,10)
InChIKeyPXFXXRSFSGRBRT-UHFFFAOYSA-N
XLogP0.10
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-(1,3-thiazol-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 2-amino-3-(1,3-thiazol-2-yl)propanoic acid?
The IUPAC name of 2-amino-3-(1,3-thiazol-2-yl)propanoic acid (CID 4684973) is 2-amino-3-(1,3-thiazol-2-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(1,3-thiazol-2-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(1,3-thiazol-2-yl)propanoic acid is NC(Cc1nccs1)C(=O)O.
What is the InChIKey of 2-amino-3-(1,3-thiazol-2-yl)propanoic acid?
The InChIKey is PXFXXRSFSGRBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c7-4(6(9)10)3-5-8-1-2-11-5/h1-2,4H,3,7H2,(H,9,10).
What are the key properties of 2-amino-3-(1,3-thiazol-2-yl)propanoic acid?
2-amino-3-(1,3-thiazol-2-yl)propanoic acid has a molecular weight of 172.21 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1,3-thiazol-2-yl)propanoic acid is sourced from PubChem (CID 4684973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).