2-[(2-hydroxyacetyl)amino]-1,3-thiazole-5-carboxylic acid

C6H6N2O4S — CID 45089612

IUPAC2-[(2-hydroxyacetyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESO=C(CO)Nc1ncc(C(=O)O)s1
InChIInChI=1S/C6H6N2O4S/c9-2-4(10)8-6-7-1-3(13-6)5(11)12/h1,9H,2H2,(H,11,12)(H,7,8,10)
InChIKeyZQOPIJLHNJLINU-UHFFFAOYSA-N
MW202.19 g/mol
LogP-0.23
Rot. Bonds3

About 2-[(2-hydroxyacetyl)amino]-1,3-thiazole-5-carboxylic acid

2-[(2-hydroxyacetyl)amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 45089612) has the molecular formula C6H6N2O4S and a molecular weight of 202.19 g/mol. Its IUPAC name is 2-[(2-hydroxyacetyl)amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(2-hydroxyacetyl)amino]-1,3-thiazole-5-carboxylic acid
PubChem CID45089612
Molecular FormulaC6H6N2O4S
Molecular Weight202.19 g/mol
Exact Mass202.00
IUPAC Name2-[(2-hydroxyacetyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESO=C(CO)Nc1ncc(C(=O)O)s1
InChIInChI=1S/C6H6N2O4S/c9-2-4(10)8-6-7-1-3(13-6)5(11)12/h1,9H,2H2,(H,11,12)(H,7,8,10)
InChIKeyZQOPIJLHNJLINU-UHFFFAOYSA-N
XLogP-0.23
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxyacetyl)amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(2-hydroxyacetyl)amino]-1,3-thiazole-5-carboxylic acid (CID 45089612) is 2-[(2-hydroxyacetyl)amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(2-hydroxyacetyl)amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(2-hydroxyacetyl)amino]-1,3-thiazole-5-carboxylic acid is O=C(CO)Nc1ncc(C(=O)O)s1.
What is the InChIKey of 2-[(2-hydroxyacetyl)amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is ZQOPIJLHNJLINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O4S/c9-2-4(10)8-6-7-1-3(13-6)5(11)12/h1,9H,2H2,(H,11,12)(H,7,8,10).
What are the key properties of 2-[(2-hydroxyacetyl)amino]-1,3-thiazole-5-carboxylic acid?
2-[(2-hydroxyacetyl)amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 202.19 g/mol, XLogP of -0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyacetyl)amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 45089612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).