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

C7H8N2O2S2 — CID 90785156

IUPAC(2R,4R)-2-(1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CS[C@H](c2cncs2)N1
InChIInChI=1S/C7H8N2O2S2/c10-7(11)4-2-12-6(9-4)5-1-8-3-13-5/h1,3-4,6,9H,2H2,(H,10,11)/t4-,6+/m0/s1
InChIKeyDCUFDBJEGGWTLR-UJURSFKZSA-N
MW216.29 g/mol
LogP0.93
Rot. Bonds2

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

(2R,4R)-2-(1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 90785156) has the molecular formula C7H8N2O2S2 and a molecular weight of 216.29 g/mol. Its IUPAC name is (2R,4R)-2-(1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-2-(1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID90785156
Molecular FormulaC7H8N2O2S2
Molecular Weight216.29 g/mol
Exact Mass216.00
IUPAC Name(2R,4R)-2-(1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CS[C@H](c2cncs2)N1
InChIInChI=1S/C7H8N2O2S2/c10-7(11)4-2-12-6(9-4)5-1-8-3-13-5/h1,3-4,6,9H,2H2,(H,10,11)/t4-,6+/m0/s1
InChIKeyDCUFDBJEGGWTLR-UJURSFKZSA-N
XLogP0.93
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-(1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (2R,4R)-2-(1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid (CID 90785156) is (2R,4R)-2-(1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (2R,4R)-2-(1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (2R,4R)-2-(1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CS[C@H](c2cncs2)N1.
What is the InChIKey of (2R,4R)-2-(1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is DCUFDBJEGGWTLR-UJURSFKZSA-N. The full InChI is InChI=1S/C7H8N2O2S2/c10-7(11)4-2-12-6(9-4)5-1-8-3-13-5/h1,3-4,6,9H,2H2,(H,10,11)/t4-,6+/m0/s1.
What are the key properties of (2R,4R)-2-(1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid?
(2R,4R)-2-(1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 216.29 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-(1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 90785156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).