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

C15H16N2O3S — CID 120526918

IUPAC(2R)-2-[[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid
SMILESCc1ccc(Cc2nc(C(=O)N[C@H](C)C(=O)O)cs2)cc1
InChIInChI=1S/C15H16N2O3S/c1-9-3-5-11(6-4-9)7-13-17-12(8-21-13)14(18)16-10(2)15(19)20/h3-6,8,10H,7H2,1-2H3,(H,16,18)(H,19,20)/t10-/m1/s1
InChIKeyQFORMKHKUMVOAU-SNVBAGLBSA-N
MW304.37 g/mol
LogP2.25
Rot. Bonds5

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

(2R)-2-[[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid (PubChem CID 120526918) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is (2R)-2-[[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid
PubChem CID120526918
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name(2R)-2-[[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid
SMILESCc1ccc(Cc2nc(C(=O)N[C@H](C)C(=O)O)cs2)cc1
InChIInChI=1S/C15H16N2O3S/c1-9-3-5-11(6-4-9)7-13-17-12(8-21-13)14(18)16-10(2)15(19)20/h3-6,8,10H,7H2,1-2H3,(H,16,18)(H,19,20)/t10-/m1/s1
InChIKeyQFORMKHKUMVOAU-SNVBAGLBSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid with MolForge

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Related Compounds

2-benzyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 38766578
2-[[2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]-3-methylpentanoic acid
CID 84556759
2-methyl-3-[methyl-[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 120524228
N-[(2S)-1-aminopropan-2-yl]-2-benzyl-1,3-thiazole-4-carboxamide
CID 120508270
5-[[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 120525274
2-[[2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 84556753
2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 119225580
2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 43170831
N-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 75438651
2-benzyl-N-ethyl-1,3-thiazole-4-carboxamide
CID 38018562
(2S)-2-[[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]amino]-3-phenylpropanoic acid
CID 119366724
2-(2-aminoethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81356924

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid (CID 120526918) is (2R)-2-[[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid is Cc1ccc(Cc2nc(C(=O)N[C@H](C)C(=O)O)cs2)cc1.
What is the InChIKey of (2R)-2-[[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid?
The InChIKey is QFORMKHKUMVOAU-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-9-3-5-11(6-4-9)7-13-17-12(8-21-13)14(18)16-10(2)15(19)20/h3-6,8,10H,7H2,1-2H3,(H,16,18)(H,19,20)/t10-/m1/s1.
What are the key properties of (2R)-2-[[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid?
(2R)-2-[[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid has a molecular weight of 304.37 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid is sourced from PubChem (CID 120526918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).