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

C15H16N2O3S — CID 119200022

IUPAC2-methyl-2-[methyl-(2-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid
SMILESCN(C(=O)c1csc(-c2ccccc2)n1)C(C)(C)C(=O)O
InChIInChI=1S/C15H16N2O3S/c1-15(2,14(19)20)17(3)13(18)11-9-21-12(16-11)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,19,20)
InChIKeyQIHRILRHXAZBPW-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.75
Rot. Bonds4

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

2-methyl-2-[methyl-(2-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid (PubChem CID 119200022) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-methyl-2-[methyl-(2-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-(2-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid
PubChem CID119200022
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-methyl-2-[methyl-(2-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid
SMILESCN(C(=O)c1csc(-c2ccccc2)n1)C(C)(C)C(=O)O
InChIInChI=1S/C15H16N2O3S/c1-15(2,14(19)20)17(3)13(18)11-9-21-12(16-11)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,19,20)
InChIKeyQIHRILRHXAZBPW-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[methyl-[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 119200350
2-[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]-methylamino]-2-methylpropanoic acid
CID 119200876
2,2-dimethyl-3-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 119249287
N-cyclohexyl-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 46823386
N-amino-N-hydrazinyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 141311933
2-phenyl-N,N-bis(prop-2-enyl)-1,3-thiazole-4-carboxamide
CID 134022260
N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 17398194
(Z)-2-(2-phenyl-1,3-thiazol-4-yl)but-2-enoic acid
CID 58657658
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 86907310
2-methoxy-1-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 130375597
2-phenyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 18105647
N-tert-butyl-N-methyl-2-[5-(2-methylphenyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide
CID 24804359

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-(2-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-(2-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid (CID 119200022) is 2-methyl-2-[methyl-(2-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-(2-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-(2-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid is CN(C(=O)c1csc(-c2ccccc2)n1)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[methyl-(2-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid?
The InChIKey is QIHRILRHXAZBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-15(2,14(19)20)17(3)13(18)11-9-21-12(16-11)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,19,20).
What are the key properties of 2-methyl-2-[methyl-(2-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid?
2-methyl-2-[methyl-(2-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid has a molecular weight of 304.37 g/mol, XLogP of 2.75, 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-(2-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119200022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).