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

C7H7ClN2O2S2 — CID 53270081

IUPAC2-(2-chloro-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2cnc(Cl)s2)N1
InChIInChI=1S/C7H7ClN2O2S2/c8-7-9-1-4(14-7)5-10-3(2-13-5)6(11)12/h1,3,5,10H,2H2,(H,11,12)
InChIKeyLOCVMGXWLSFNMB-UHFFFAOYSA-N
MW250.73 g/mol
LogP1.58
Rot. Bonds2

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

2-(2-chloro-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 53270081) has the molecular formula C7H7ClN2O2S2 and a molecular weight of 250.73 g/mol. Its IUPAC name is 2-(2-chloro-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-chloro-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID53270081
Molecular FormulaC7H7ClN2O2S2
Molecular Weight250.73 g/mol
Exact Mass249.96
IUPAC Name2-(2-chloro-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2cnc(Cl)s2)N1
InChIInChI=1S/C7H7ClN2O2S2/c8-7-9-1-4(14-7)5-10-3(2-13-5)6(11)12/h1,3,5,10H,2H2,(H,11,12)
InChIKeyLOCVMGXWLSFNMB-UHFFFAOYSA-N
XLogP1.58
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-(2-chloro-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid (CID 53270081) is 2-(2-chloro-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-(2-chloro-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-(2-chloro-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSC(c2cnc(Cl)s2)N1.
What is the InChIKey of 2-(2-chloro-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is LOCVMGXWLSFNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2S2/c8-7-9-1-4(14-7)5-10-3(2-13-5)6(11)12/h1,3,5,10H,2H2,(H,11,12).
What are the key properties of 2-(2-chloro-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid?
2-(2-chloro-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 250.73 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 53270081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).