2-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid

C13H11FN2O3S — CID 42569957

IUPAC2-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cc1csc(-c2ccccc2F)n1
InChIInChI=1S/C13H11FN2O3S/c14-10-4-2-1-3-9(10)13-16-8(7-20-13)5-11(17)15-6-12(18)19/h1-4,7H,5-6H2,(H,15,17)(H,18,19)
InChIKeySAVCLHLSGOYRDM-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.69
Rot. Bonds5

About 2-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid

2-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid (PubChem CID 42569957) has the molecular formula C13H11FN2O3S and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
PubChem CID42569957
Molecular FormulaC13H11FN2O3S
Molecular Weight294.31 g/mol
Exact Mass294.05
IUPAC Name2-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cc1csc(-c2ccccc2F)n1
InChIInChI=1S/C13H11FN2O3S/c14-10-4-2-1-3-9(10)13-16-8(7-20-13)5-11(17)15-6-12(18)19/h1-4,7H,5-6H2,(H,15,17)(H,18,19)
InChIKeySAVCLHLSGOYRDM-UHFFFAOYSA-N
XLogP1.69
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic 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-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid (CID 42569957) is 2-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid is O=C(O)CNC(=O)Cc1csc(-c2ccccc2F)n1.
What is the InChIKey of 2-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid?
The InChIKey is SAVCLHLSGOYRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3S/c14-10-4-2-1-3-9(10)13-16-8(7-20-13)5-11(17)15-6-12(18)19/h1-4,7H,5-6H2,(H,15,17)(H,18,19).
What are the key properties of 2-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid?
2-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid has a molecular weight of 294.31 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid is sourced from PubChem (CID 42569957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).