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

C9H8N2O2S2 — CID 104770828

IUPAC5-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxylic acid
SMILESCc1csc(-c2nc(C(=O)O)c(C)s2)n1
InChIInChI=1S/C9H8N2O2S2/c1-4-3-14-7(10-4)8-11-6(9(12)13)5(2)15-8/h3H,1-2H3,(H,12,13)
InChIKeyXJEBLHYCGLHKOY-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.58
Rot. Bonds2

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

5-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 104770828) has the molecular formula C9H8N2O2S2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID104770828
Molecular FormulaC9H8N2O2S2
Molecular Weight240.31 g/mol
Exact Mass240.00
IUPAC Name5-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxylic acid
SMILESCc1csc(-c2nc(C(=O)O)c(C)s2)n1
InChIInChI=1S/C9H8N2O2S2/c1-4-3-14-7(10-4)8-11-6(9(12)13)5(2)15-8/h3H,1-2H3,(H,12,13)
InChIKeyXJEBLHYCGLHKOY-UHFFFAOYSA-N
XLogP2.58
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxylic acid (CID 104770828) is 5-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxylic acid is Cc1csc(-c2nc(C(=O)O)c(C)s2)n1.
What is the InChIKey of 5-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is XJEBLHYCGLHKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S2/c1-4-3-14-7(10-4)8-11-6(9(12)13)5(2)15-8/h3H,1-2H3,(H,12,13).
What are the key properties of 5-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxylic acid?
5-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 240.31 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 104770828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).