2-[methyl-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid

C15H16N2O3S — CID 119358383

IUPAC2-[methyl-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
SMILESCc1nc(-c2ccccc2)c(C(=O)N(C)C(C)C(=O)O)s1
InChIInChI=1S/C15H16N2O3S/c1-9(15(19)20)17(3)14(18)13-12(16-10(2)21-13)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,19,20)
InChIKeyCYKQULSGIGJHJY-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.66
Rot. Bonds4

About 2-[methyl-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid

2-[methyl-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid (PubChem CID 119358383) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-[methyl-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
PubChem CID119358383
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-[methyl-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
SMILESCc1nc(-c2ccccc2)c(C(=O)N(C)C(C)C(=O)O)s1
InChIInChI=1S/C15H16N2O3S/c1-9(15(19)20)17(3)14(18)13-12(16-10(2)21-13)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,19,20)
InChIKeyCYKQULSGIGJHJY-UHFFFAOYSA-N
XLogP2.66
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[methyl-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)amino]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-[methyl-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[methyl-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid (CID 119358383) is 2-[methyl-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[methyl-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid is Cc1nc(-c2ccccc2)c(C(=O)N(C)C(C)C(=O)O)s1.
What is the InChIKey of 2-[methyl-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
The InChIKey is CYKQULSGIGJHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-9(15(19)20)17(3)14(18)13-12(16-10(2)21-13)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,19,20).
What are the key properties of 2-[methyl-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
2-[methyl-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid has a molecular weight of 304.37 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119358383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).