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

C14H14N2O3S — CID 18072824

IUPAC2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid
SMILESCc1ncsc1C(=O)NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C14H14N2O3S/c1-9-12(20-8-15-9)13(17)16-11(14(18)19)7-10-5-3-2-4-6-10/h2-6,8,11H,7H2,1H3,(H,16,17)(H,18,19)
InChIKeyARCSNRFHCZVLMW-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.88
Rot. Bonds5

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

2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid (PubChem CID 18072824) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid
PubChem CID18072824
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid
SMILESCc1ncsc1C(=O)NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C14H14N2O3S/c1-9-12(20-8-15-9)13(17)16-11(14(18)19)7-10-5-3-2-4-6-10/h2-6,8,11H,7H2,1H3,(H,16,17)(H,18,19)
InChIKeyARCSNRFHCZVLMW-UHFFFAOYSA-N
XLogP1.88
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 102673756
2-benzyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 119234033
2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid
CID 67820126
(2S)-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]heptanoic acid
CID 97337438
4-methyl-N-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide
CID 96550906
(2S)-4-[(2-methylpropan-2-yl)oxy]-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-4-oxobutanoic acid
CID 82813726
(2R)-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanoic acid
CID 129468232
(2S)-2-[(3-bromothiophene-2-carbonyl)amino]-3-phenylpropanoic acid
CID 62034219
(2S)-2-[(6-methylpyridine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 30075662
(2S)-2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119366410
2-[(1-methylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid
CID 103116341
2-[[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-3-phenylpropanoic acid
CID 75269827

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid?
The IUPAC name of 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid (CID 18072824) is 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid is Cc1ncsc1C(=O)NC(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid?
The InChIKey is ARCSNRFHCZVLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-9-12(20-8-15-9)13(17)16-11(14(18)19)7-10-5-3-2-4-6-10/h2-6,8,11H,7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid?
2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid has a molecular weight of 290.34 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 18072824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).