(2S)-3-hydroxy-2-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid

C11H10N2O4S2 — CID 61151765

IUPAC(2S)-3-hydroxy-2-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid
SMILESO=C(N[C@@H](CO)C(=O)O)c1csc(-c2cccs2)n1
InChIInChI=1S/C11H10N2O4S2/c14-4-6(11(16)17)12-9(15)7-5-19-10(13-7)8-2-1-3-18-8/h1-3,5-6,14H,4H2,(H,12,15)(H,16,17)/t6-/m0/s1
InChIKeyWYXGBOYILCFCJY-LURJTMIESA-N
MW298.34 g/mol
LogP1.05
Rot. Bonds5

About (2S)-3-hydroxy-2-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid

(2S)-3-hydroxy-2-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid (PubChem CID 61151765) has the molecular formula C11H10N2O4S2 and a molecular weight of 298.34 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid
PubChem CID61151765
Molecular FormulaC11H10N2O4S2
Molecular Weight298.34 g/mol
Exact Mass298.01
IUPAC Name(2S)-3-hydroxy-2-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid
SMILESO=C(N[C@@H](CO)C(=O)O)c1csc(-c2cccs2)n1
InChIInChI=1S/C11H10N2O4S2/c14-4-6(11(16)17)12-9(15)7-5-19-10(13-7)8-2-1-3-18-8/h1-3,5-6,14H,4H2,(H,12,15)(H,16,17)/t6-/m0/s1
InChIKeyWYXGBOYILCFCJY-LURJTMIESA-N
XLogP1.05
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-3-hydroxy-2-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid (CID 61151765) is (2S)-3-hydroxy-2-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-3-hydroxy-2-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-3-hydroxy-2-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid is O=C(N[C@@H](CO)C(=O)O)c1csc(-c2cccs2)n1.
What is the InChIKey of (2S)-3-hydroxy-2-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid?
The InChIKey is WYXGBOYILCFCJY-LURJTMIESA-N. The full InChI is InChI=1S/C11H10N2O4S2/c14-4-6(11(16)17)12-9(15)7-5-19-10(13-7)8-2-1-3-18-8/h1-3,5-6,14H,4H2,(H,12,15)(H,16,17)/t6-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid?
(2S)-3-hydroxy-2-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid has a molecular weight of 298.34 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 61151765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).