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

C15H16N2O3S — CID 120512144

IUPAC2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]-3-phenylpropanoic acid
SMILESCc1nc(C(=O)NC(Cc2ccccc2)C(=O)O)c(C)s1
InChIInChI=1S/C15H16N2O3S/c1-9-13(16-10(2)21-9)14(18)17-12(15(19)20)8-11-6-4-3-5-7-11/h3-7,12H,8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyYRBVDWTXOIXZDV-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.19
Rot. Bonds5

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

2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]-3-phenylpropanoic acid (PubChem CID 120512144) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]-3-phenylpropanoic acid
PubChem CID120512144
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]-3-phenylpropanoic acid
SMILESCc1nc(C(=O)NC(Cc2ccccc2)C(=O)O)c(C)s1
InChIInChI=1S/C15H16N2O3S/c1-9-13(16-10(2)21-9)14(18)17-12(15(19)20)8-11-6-4-3-5-7-11/h3-7,12H,8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyYRBVDWTXOIXZDV-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 110835406
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 68727023
N-benzyl-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465518
2-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-phenylpropanoic acid
CID 43170130
(2S)-2-[(6-methylpyridine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 30075662
(2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-3-phenylpropanoic acid
CID 104873963
(2S)-2-[(5-chlorothiophene-2-carbonyl)amino]-3-phenylpropanoic acid
CID 41250495
2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid
CID 18072824
(2S)-2-[[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]amino]-3-phenylpropanoic acid
CID 119366724
(2S)-2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119366410
2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamothioylamino]-3-phenylpropanoic acid
CID 19704066
(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 104741915

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]-3-phenylpropanoic acid?
The IUPAC name of 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]-3-phenylpropanoic acid (CID 120512144) is 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]-3-phenylpropanoic acid is Cc1nc(C(=O)NC(Cc2ccccc2)C(=O)O)c(C)s1.
What is the InChIKey of 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]-3-phenylpropanoic acid?
The InChIKey is YRBVDWTXOIXZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-9-13(16-10(2)21-9)14(18)17-12(15(19)20)8-11-6-4-3-5-7-11/h3-7,12H,8H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]-3-phenylpropanoic acid?
2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]-3-phenylpropanoic acid has a molecular weight of 304.37 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 120512144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).