2-(2-phenyl-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid

C13H12N2O2S2 — CID 53270061

IUPAC2-(2-phenyl-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2cnc(-c3ccccc3)s2)N1
InChIInChI=1S/C13H12N2O2S2/c16-13(17)9-7-18-12(15-9)10-6-14-11(19-10)8-4-2-1-3-5-8/h1-6,9,12,15H,7H2,(H,16,17)
InChIKeyOBSIFYVSNFLCIB-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.60
Rot. Bonds3

About 2-(2-phenyl-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid

2-(2-phenyl-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 53270061) has the molecular formula C13H12N2O2S2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(2-phenyl-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-phenyl-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID53270061
Molecular FormulaC13H12N2O2S2
Molecular Weight292.38 g/mol
Exact Mass292.03
IUPAC Name2-(2-phenyl-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2cnc(-c3ccccc3)s2)N1
InChIInChI=1S/C13H12N2O2S2/c16-13(17)9-7-18-12(15-9)10-6-14-11(19-10)8-4-2-1-3-5-8/h1-6,9,12,15H,7H2,(H,16,17)
InChIKeyOBSIFYVSNFLCIB-UHFFFAOYSA-N
XLogP2.60
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-(2-phenyl-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid (CID 53270061) is 2-(2-phenyl-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-(2-phenyl-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-(2-phenyl-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSC(c2cnc(-c3ccccc3)s2)N1.
What is the InChIKey of 2-(2-phenyl-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is OBSIFYVSNFLCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S2/c16-13(17)9-7-18-12(15-9)10-6-14-11(19-10)8-4-2-1-3-5-8/h1-6,9,12,15H,7H2,(H,16,17).
What are the key properties of 2-(2-phenyl-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid?
2-(2-phenyl-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 292.38 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 53270061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).