3-methyl-5-oxo-5-[(5-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid

C15H16N2O3S — CID 155962659

IUPAC3-methyl-5-oxo-5-[(5-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid
SMILESCC(CC(=O)O)CC(=O)Nc1ncc(-c2ccccc2)s1
InChIInChI=1S/C15H16N2O3S/c1-10(8-14(19)20)7-13(18)17-15-16-9-12(21-15)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyWQJIWCRGMHCZKC-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.25
Rot. Bonds6

About 3-methyl-5-oxo-5-[(5-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid

3-methyl-5-oxo-5-[(5-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid (PubChem CID 155962659) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 3-methyl-5-oxo-5-[(5-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-5-oxo-5-[(5-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid
PubChem CID155962659
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name3-methyl-5-oxo-5-[(5-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid
SMILESCC(CC(=O)O)CC(=O)Nc1ncc(-c2ccccc2)s1
InChIInChI=1S/C15H16N2O3S/c1-10(8-14(19)20)7-13(18)17-15-16-9-12(21-15)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyWQJIWCRGMHCZKC-UHFFFAOYSA-N
XLogP3.25
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-5-oxo-5-[(5-phenyl-1,3-thiazol-2-yl)amino]pentanoic 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 3-methyl-5-oxo-5-[(5-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid?
The IUPAC name of 3-methyl-5-oxo-5-[(5-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid (CID 155962659) is 3-methyl-5-oxo-5-[(5-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid.
What is the SMILES notation for 3-methyl-5-oxo-5-[(5-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid?
The canonical SMILES for 3-methyl-5-oxo-5-[(5-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid is CC(CC(=O)O)CC(=O)Nc1ncc(-c2ccccc2)s1.
What is the InChIKey of 3-methyl-5-oxo-5-[(5-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid?
The InChIKey is WQJIWCRGMHCZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-10(8-14(19)20)7-13(18)17-15-16-9-12(21-15)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,19,20)(H,16,17,18).
What are the key properties of 3-methyl-5-oxo-5-[(5-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid?
3-methyl-5-oxo-5-[(5-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid has a molecular weight of 304.37 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-oxo-5-[(5-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid is sourced from PubChem (CID 155962659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).