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

C15H16N2O3S — CID 122111454

IUPAC2-methyl-3-[methyl-(5-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid
SMILESCC(CN(C)C(=O)c1ncsc1-c1ccccc1)C(=O)O
InChIInChI=1S/C15H16N2O3S/c1-10(15(19)20)8-17(2)14(18)12-13(21-9-16-12)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,19,20)
InChIKeyUGLJLBDJPVBWBR-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.60
Rot. Bonds5

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

2-methyl-3-[methyl-(5-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid (PubChem CID 122111454) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-methyl-3-[methyl-(5-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-(5-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid
PubChem CID122111454
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-methyl-3-[methyl-(5-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid
SMILESCC(CN(C)C(=O)c1ncsc1-c1ccccc1)C(=O)O
InChIInChI=1S/C15H16N2O3S/c1-10(15(19)20)8-17(2)14(18)12-13(21-9-16-12)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,19,20)
InChIKeyUGLJLBDJPVBWBR-UHFFFAOYSA-N
XLogP2.60
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-(5-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-(5-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid (CID 122111454) is 2-methyl-3-[methyl-(5-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-(5-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-(5-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid is CC(CN(C)C(=O)c1ncsc1-c1ccccc1)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-(5-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid?
The InChIKey is UGLJLBDJPVBWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-10(15(19)20)8-17(2)14(18)12-13(21-9-16-12)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,19,20).
What are the key properties of 2-methyl-3-[methyl-(5-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid?
2-methyl-3-[methyl-(5-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid has a molecular weight of 304.37 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-(5-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 122111454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).