2-[(4-chloro-1,3-thiazol-2-yl)amino]-2-phenylpropanoic acid

C12H11ClN2O2S — CID 83152132

IUPAC2-[(4-chloro-1,3-thiazol-2-yl)amino]-2-phenylpropanoic acid
SMILESCC(Nc1nc(Cl)cs1)(C(=O)O)c1ccccc1
InChIInChI=1S/C12H11ClN2O2S/c1-12(10(16)17,8-5-3-2-4-6-8)15-11-14-9(13)7-18-11/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyBAUMSGFUELIXIO-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.21
Rot. Bonds4

About 2-[(4-chloro-1,3-thiazol-2-yl)amino]-2-phenylpropanoic acid

2-[(4-chloro-1,3-thiazol-2-yl)amino]-2-phenylpropanoic acid (PubChem CID 83152132) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is 2-[(4-chloro-1,3-thiazol-2-yl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-[(4-chloro-1,3-thiazol-2-yl)amino]-2-phenylpropanoic acid
PubChem CID83152132
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Name2-[(4-chloro-1,3-thiazol-2-yl)amino]-2-phenylpropanoic acid
SMILESCC(Nc1nc(Cl)cs1)(C(=O)O)c1ccccc1
InChIInChI=1S/C12H11ClN2O2S/c1-12(10(16)17,8-5-3-2-4-6-8)15-11-14-9(13)7-18-11/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyBAUMSGFUELIXIO-UHFFFAOYSA-N
XLogP3.21
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4-chloro-1,3-thiazol-2-yl)amino]-2-phenylpropanoic 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-[(4-chloro-1,3-thiazol-2-yl)amino]-2-phenylpropanoic acid?
The IUPAC name of 2-[(4-chloro-1,3-thiazol-2-yl)amino]-2-phenylpropanoic acid (CID 83152132) is 2-[(4-chloro-1,3-thiazol-2-yl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 2-[(4-chloro-1,3-thiazol-2-yl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 2-[(4-chloro-1,3-thiazol-2-yl)amino]-2-phenylpropanoic acid is CC(Nc1nc(Cl)cs1)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[(4-chloro-1,3-thiazol-2-yl)amino]-2-phenylpropanoic acid?
The InChIKey is BAUMSGFUELIXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c1-12(10(16)17,8-5-3-2-4-6-8)15-11-14-9(13)7-18-11/h2-7H,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(4-chloro-1,3-thiazol-2-yl)amino]-2-phenylpropanoic acid?
2-[(4-chloro-1,3-thiazol-2-yl)amino]-2-phenylpropanoic acid has a molecular weight of 282.75 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-1,3-thiazol-2-yl)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 83152132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).