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

C14H14N2O3S — CID 56919999

IUPAC2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
SMILESCc1nc(-c2ccccc2)sc1C(=O)NC(C)C(=O)O
InChIInChI=1S/C14H14N2O3S/c1-8-11(12(17)15-9(2)14(18)19)20-13(16-8)10-6-4-3-5-7-10/h3-7,9H,1-2H3,(H,15,17)(H,18,19)
InChIKeyAERPOHXQCCQYQL-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.32
Rot. Bonds4

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

2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid (PubChem CID 56919999) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
PubChem CID56919999
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
SMILESCc1nc(-c2ccccc2)sc1C(=O)NC(C)C(=O)O
InChIInChI=1S/C14H14N2O3S/c1-8-11(12(17)15-9(2)14(18)19)20-13(16-8)10-6-4-3-5-7-10/h3-7,9H,1-2H3,(H,15,17)(H,18,19)
InChIKeyAERPOHXQCCQYQL-UHFFFAOYSA-N
XLogP2.32
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 51663849
4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 9123977
(2R)-4-methyl-2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 119363922
2-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 45370467
4-methyl-2-phenyl-N-[(1S)-1-pyridin-4-ylethyl]-1,3-thiazole-5-carboxamide
CID 39966458
(2S)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 39315129
(2R)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 78972825
N-[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 124735038
2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-2-phenylacetic acid
CID 74586861
N-[2-(1-hydroxyethyl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110885308
N-(2-hydroxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 46666287
2-hydroxy-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone
CID 14318557

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid (CID 56919999) is 2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid is Cc1nc(-c2ccccc2)sc1C(=O)NC(C)C(=O)O.
What is the InChIKey of 2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
The InChIKey is AERPOHXQCCQYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-8-11(12(17)15-9(2)14(18)19)20-13(16-8)10-6-4-3-5-7-10/h3-7,9H,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid has a molecular weight of 290.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 56919999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).