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

C15H16N2O3S — CID 122111573

IUPAC2-methyl-3-[methyl-(4-phenyl-1,3-thiazole-2-carbonyl)amino]propanoic acid
SMILESCC(CN(C)C(=O)c1nc(-c2ccccc2)cs1)C(=O)O
InChIInChI=1S/C15H16N2O3S/c1-10(15(19)20)8-17(2)14(18)13-16-12(9-21-13)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,19,20)
InChIKeyBRUJTEHDFBWSKN-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.60
Rot. Bonds5

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

2-methyl-3-[methyl-(4-phenyl-1,3-thiazole-2-carbonyl)amino]propanoic acid (PubChem CID 122111573) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-methyl-3-[methyl-(4-phenyl-1,3-thiazole-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-(4-phenyl-1,3-thiazole-2-carbonyl)amino]propanoic acid
PubChem CID122111573
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-methyl-3-[methyl-(4-phenyl-1,3-thiazole-2-carbonyl)amino]propanoic acid
SMILESCC(CN(C)C(=O)c1nc(-c2ccccc2)cs1)C(=O)O
InChIInChI=1S/C15H16N2O3S/c1-10(15(19)20)8-17(2)14(18)13-16-12(9-21-13)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,19,20)
InChIKeyBRUJTEHDFBWSKN-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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Related Compounds

2-methyl-3-[methyl-[4-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]propanoic acid
CID 122111519
2-methyl-3-[methyl-(2-methyl-6-phenylpyridine-3-carbonyl)amino]propanoic acid
CID 120524243
2-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)-propan-2-ylamino]propanoic acid
CID 82310044
2-methyl-3-[methyl-(5-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 122111454
3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-methylpropanoic acid
CID 82310167
N,N-dimethyl-4-phenyl-1,3-thiazole-2-carbothioamide
CID 71367194
4-(4-phenylphenyl)-1,3-thiazole-2-carboxylic acid
CID 79567342
2-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 43627750
potassium 4-phenyl-1,3-thiazole-2-carboxylate
CID 59635440
3-methyl-2-(4-phenyl-1,3-thiazol-2-yl)butanoic acid
CID 116967222
N-[2-(dimethylamino)pyrimidin-5-yl]-4-phenyl-1,3-thiazole-2-carboxamide
CID 136517401
2-methyl-3-[methyl-[(3-phenyl-1,2,4-thiadiazol-5-yl)carbamoyl]amino]propanoic acid
CID 122076890

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-(4-phenyl-1,3-thiazole-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-(4-phenyl-1,3-thiazole-2-carbonyl)amino]propanoic acid (CID 122111573) is 2-methyl-3-[methyl-(4-phenyl-1,3-thiazole-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-(4-phenyl-1,3-thiazole-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-(4-phenyl-1,3-thiazole-2-carbonyl)amino]propanoic acid is CC(CN(C)C(=O)c1nc(-c2ccccc2)cs1)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-(4-phenyl-1,3-thiazole-2-carbonyl)amino]propanoic acid?
The InChIKey is BRUJTEHDFBWSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-10(15(19)20)8-17(2)14(18)13-16-12(9-21-13)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-(4-phenyl-1,3-thiazole-2-carbonyl)amino]propanoic acid?
2-methyl-3-[methyl-(4-phenyl-1,3-thiazole-2-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-(4-phenyl-1,3-thiazole-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 122111573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).