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

C15H16N2O3S — CID 119249287

IUPAC2,2-dimethyl-3-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid
SMILESCC(C)(CNC(=O)c1csc(-c2ccccc2)n1)C(=O)O
InChIInChI=1S/C15H16N2O3S/c1-15(2,14(19)20)9-16-12(18)11-8-21-13(17-11)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyMYQKIDJEVGGUNN-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.65
Rot. Bonds5

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

2,2-dimethyl-3-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid (PubChem CID 119249287) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid
PubChem CID119249287
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2,2-dimethyl-3-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid
SMILESCC(C)(CNC(=O)c1csc(-c2ccccc2)n1)C(=O)O
InChIInChI=1S/C15H16N2O3S/c1-15(2,14(19)20)9-16-12(18)11-8-21-13(17-11)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyMYQKIDJEVGGUNN-UHFFFAOYSA-N
XLogP2.65
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 18105647
N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 17398194
3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427982
N-octadecyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 11259615
N-[(2-methylphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 9488971
2-phenyl-N-[(2R)-2-phenylpropyl]-1,3-thiazole-4-carboxamide
CID 9457088
N-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 9191739
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 99873747
N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 110902537
2-methyl-2-[methyl-(2-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 119200022
methyl 4-[[(2-phenyl-1,3-thiazole-4-carbonyl)amino]methyl]benzoate
CID 55386593
N-[2-(diethylamino)-2-phenylethyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 18271681

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid (CID 119249287) is 2,2-dimethyl-3-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid is CC(C)(CNC(=O)c1csc(-c2ccccc2)n1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid?
The InChIKey is MYQKIDJEVGGUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-15(2,14(19)20)9-16-12(18)11-8-21-13(17-11)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2,2-dimethyl-3-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid?
2,2-dimethyl-3-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid has a molecular weight of 304.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119249287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).