2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid

C15H16N2O3S — CID 119225580

IUPAC2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
SMILESCC(NC(=O)Cc1csc(Cc2ccccc2)n1)C(=O)O
InChIInChI=1S/C15H16N2O3S/c1-10(15(19)20)16-13(18)8-12-9-21-14(17-12)7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,16,18)(H,19,20)
InChIKeyZYGXUUKHABQZBN-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.87
Rot. Bonds6

About 2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid

2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid (PubChem CID 119225580) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
PubChem CID119225580
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
SMILESCC(NC(=O)Cc1csc(Cc2ccccc2)n1)C(=O)O
InChIInChI=1S/C15H16N2O3S/c1-10(15(19)20)16-13(18)8-12-9-21-14(17-12)7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,16,18)(H,19,20)
InChIKeyZYGXUUKHABQZBN-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]-3-methylbutanoic acid
CID 119368491
N-(1-aminohexan-2-yl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
CID 119666140
(2S)-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 51052302
ethyl 3-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]-3-phenylpropanoate
CID 48588024
2-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 43170823
N-(2-aminoethyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
CID 119383166
2-(2-benzyl-1,3-thiazol-4-yl)-N-[(2R)-2-hydroxy-2-phenylpropyl]acetamide
CID 95769499
2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-fluorophenyl)acetamide
CID 38765206
ethyl 2-[2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 55649828
4-[[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide
CID 38304679
2-[[2-(2-benzyl-1,3-thiazol-4-yl)-1-carboxyethyl]amino]-4-methylpentanoic acid
CID 20596029
N-(2-adamantyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
CID 78869634

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid (CID 119225580) is 2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid is CC(NC(=O)Cc1csc(Cc2ccccc2)n1)C(=O)O.
What is the InChIKey of 2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid?
The InChIKey is ZYGXUUKHABQZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-10(15(19)20)16-13(18)8-12-9-21-14(17-12)7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid?
2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid has a molecular weight of 304.37 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 119225580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).