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

C8H10N2O2S2 — CID 53270064

IUPAC2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESCc1cnc(C2NC(C(=O)O)CS2)s1
InChIInChI=1S/C8H10N2O2S2/c1-4-2-9-6(14-4)7-10-5(3-13-7)8(11)12/h2,5,7,10H,3H2,1H3,(H,11,12)
InChIKeyXAQJOMHXNMSUGI-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.24
Rot. Bonds2

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

2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 53270064) has the molecular formula C8H10N2O2S2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID53270064
Molecular FormulaC8H10N2O2S2
Molecular Weight230.31 g/mol
Exact Mass230.02
IUPAC Name2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESCc1cnc(C2NC(C(=O)O)CS2)s1
InChIInChI=1S/C8H10N2O2S2/c1-4-2-9-6(14-4)7-10-5(3-13-7)8(11)12/h2,5,7,10H,3H2,1H3,(H,11,12)
InChIKeyXAQJOMHXNMSUGI-UHFFFAOYSA-N
XLogP1.24
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxylic acid (CID 53270064) is 2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxylic acid is Cc1cnc(C2NC(C(=O)O)CS2)s1.
What is the InChIKey of 2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is XAQJOMHXNMSUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S2/c1-4-2-9-6(14-4)7-10-5(3-13-7)8(11)12/h2,5,7,10H,3H2,1H3,(H,11,12).
What are the key properties of 2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxylic acid?
2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 230.31 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 53270064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).