2-[(2-methylphenyl)methyl-[4-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]acetic acid

C21H20N2O3S — CID 75383563

IUPAC2-[(2-methylphenyl)methyl-[4-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]acetic acid
SMILESCc1csc(-c2ccc(C(=O)N(CC(=O)O)Cc3ccccc3C)cc2)n1
InChIInChI=1S/C21H20N2O3S/c1-14-5-3-4-6-18(14)11-23(12-19(24)25)21(26)17-9-7-16(8-10-17)20-22-15(2)13-27-20/h3-10,13H,11-12H2,1-2H3,(H,24,25)
InChIKeyHISZVUWPAHUQAA-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.15
Rot. Bonds6

About 2-[(2-methylphenyl)methyl-[4-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]acetic acid

2-[(2-methylphenyl)methyl-[4-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]acetic acid (PubChem CID 75383563) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl-[4-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-methylphenyl)methyl-[4-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]acetic acid
PubChem CID75383563
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name2-[(2-methylphenyl)methyl-[4-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]acetic acid
SMILESCc1csc(-c2ccc(C(=O)N(CC(=O)O)Cc3ccccc3C)cc2)n1
InChIInChI=1S/C21H20N2O3S/c1-14-5-3-4-6-18(14)11-23(12-19(24)25)21(26)17-9-7-16(8-10-17)20-22-15(2)13-27-20/h3-10,13H,11-12H2,1-2H3,(H,24,25)
InChIKeyHISZVUWPAHUQAA-UHFFFAOYSA-N
XLogP4.15
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2-methylphenyl)methyl-[4-(4-methyl-1,3-thiazol-2-yl)benzoyl]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-methylphenyl)methyl-[4-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]acetic acid?
The IUPAC name of 2-[(2-methylphenyl)methyl-[4-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]acetic acid (CID 75383563) is 2-[(2-methylphenyl)methyl-[4-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-methylphenyl)methyl-[4-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[(2-methylphenyl)methyl-[4-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]acetic acid is Cc1csc(-c2ccc(C(=O)N(CC(=O)O)Cc3ccccc3C)cc2)n1.
What is the InChIKey of 2-[(2-methylphenyl)methyl-[4-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]acetic acid?
The InChIKey is HISZVUWPAHUQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-14-5-3-4-6-18(14)11-23(12-19(24)25)21(26)17-9-7-16(8-10-17)20-22-15(2)13-27-20/h3-10,13H,11-12H2,1-2H3,(H,24,25).
What are the key properties of 2-[(2-methylphenyl)methyl-[4-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]acetic acid?
2-[(2-methylphenyl)methyl-[4-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]acetic acid has a molecular weight of 380.47 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methyl-[4-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]acetic acid is sourced from PubChem (CID 75383563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).