(2S)-2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid

C15H16N2O3S — CID 91645233

IUPAC(2S)-2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid
SMILESCCc1ncc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)s1
InChIInChI=1S/C15H16N2O3S/c1-2-13-16-9-12(21-13)14(18)17-11(15(19)20)8-10-6-4-3-5-7-10/h3-7,9,11H,2,8H2,1H3,(H,17,18)(H,19,20)/t11-/m0/s1
InChIKeyUNYXAEAIFIXECH-NSHDSACASA-N
MW304.37 g/mol
LogP2.13
Rot. Bonds6

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

(2S)-2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid (PubChem CID 91645233) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is (2S)-2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid
PubChem CID91645233
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name(2S)-2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid
SMILESCCc1ncc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)s1
InChIInChI=1S/C15H16N2O3S/c1-2-13-16-9-12(21-13)14(18)17-11(15(19)20)8-10-6-4-3-5-7-10/h3-7,9,11H,2,8H2,1H3,(H,17,18)(H,19,20)/t11-/m0/s1
InChIKeyUNYXAEAIFIXECH-NSHDSACASA-N
XLogP2.13
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid?
The IUPAC name of (2S)-2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid (CID 91645233) is (2S)-2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for (2S)-2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid is CCc1ncc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)s1.
What is the InChIKey of (2S)-2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid?
The InChIKey is UNYXAEAIFIXECH-NSHDSACASA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-2-13-16-9-12(21-13)14(18)17-11(15(19)20)8-10-6-4-3-5-7-10/h3-7,9,11H,2,8H2,1H3,(H,17,18)(H,19,20)/t11-/m0/s1.
What are the key properties of (2S)-2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid?
(2S)-2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid has a molecular weight of 304.37 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 91645233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).