2-[2-(2-methoxyanilino)-4-phenyl-1,3-thiazol-5-yl]acetic acid

C18H16N2O3S — CID 4095384

IUPAC2-[2-(2-methoxyanilino)-4-phenyl-1,3-thiazol-5-yl]acetic acid
SMILESCOc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)O)s1
InChIInChI=1S/C18H16N2O3S/c1-23-14-10-6-5-9-13(14)19-18-20-17(12-7-3-2-4-8-12)15(24-18)11-16(21)22/h2-10H,11H2,1H3,(H,19,20)(H,21,22)
InChIKeyZCFXJXOEDBZELJ-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.19
Rot. Bonds6

About 2-[2-(2-methoxyanilino)-4-phenyl-1,3-thiazol-5-yl]acetic acid

2-[2-(2-methoxyanilino)-4-phenyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 4095384) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-[2-(2-methoxyanilino)-4-phenyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-methoxyanilino)-4-phenyl-1,3-thiazol-5-yl]acetic acid
PubChem CID4095384
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name2-[2-(2-methoxyanilino)-4-phenyl-1,3-thiazol-5-yl]acetic acid
SMILESCOc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)O)s1
InChIInChI=1S/C18H16N2O3S/c1-23-14-10-6-5-9-13(14)19-18-20-17(12-7-3-2-4-8-12)15(24-18)11-16(21)22/h2-10H,11H2,1H3,(H,19,20)(H,21,22)
InChIKeyZCFXJXOEDBZELJ-UHFFFAOYSA-N
XLogP4.19
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-(2-methoxyanilino)-4-phenyl-1,3-thiazol-5-yl]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-methoxyanilino)-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(2-methoxyanilino)-4-phenyl-1,3-thiazol-5-yl]acetic acid (CID 4095384) is 2-[2-(2-methoxyanilino)-4-phenyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-methoxyanilino)-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(2-methoxyanilino)-4-phenyl-1,3-thiazol-5-yl]acetic acid is COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)O)s1.
What is the InChIKey of 2-[2-(2-methoxyanilino)-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is ZCFXJXOEDBZELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-23-14-10-6-5-9-13(14)19-18-20-17(12-7-3-2-4-8-12)15(24-18)11-16(21)22/h2-10H,11H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-[2-(2-methoxyanilino)-4-phenyl-1,3-thiazol-5-yl]acetic acid?
2-[2-(2-methoxyanilino)-4-phenyl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 340.40 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyanilino)-4-phenyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 4095384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).