4-methyl-2-methylsulfanyl-7-oxo-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid

C9H8N2O3S2 — CID 58825311

IUPAC4-methyl-2-methylsulfanyl-7-oxo-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid
SMILESCSc1nc2c(s1)c(=O)c(C(=O)O)cn2C
InChIInChI=1S/C9H8N2O3S2/c1-11-3-4(8(13)14)5(12)6-7(11)10-9(15-2)16-6/h3H,1-2H3,(H,13,14)
InChIKeyINMKALOZUINDIH-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.42
Rot. Bonds2

About 4-methyl-2-methylsulfanyl-7-oxo-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid

4-methyl-2-methylsulfanyl-7-oxo-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 58825311) has the molecular formula C9H8N2O3S2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-methyl-2-methylsulfanyl-7-oxo-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-methylsulfanyl-7-oxo-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid
PubChem CID58825311
Molecular FormulaC9H8N2O3S2
Molecular Weight256.31 g/mol
Exact Mass256.00
IUPAC Name4-methyl-2-methylsulfanyl-7-oxo-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid
SMILESCSc1nc2c(s1)c(=O)c(C(=O)O)cn2C
InChIInChI=1S/C9H8N2O3S2/c1-11-3-4(8(13)14)5(12)6-7(11)10-9(15-2)16-6/h3H,1-2H3,(H,13,14)
InChIKeyINMKALOZUINDIH-UHFFFAOYSA-N
XLogP1.42
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-2-methylsulfanyl-7-oxo-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylsulfanyl-7-oxo-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 4-methyl-2-methylsulfanyl-7-oxo-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid (CID 58825311) is 4-methyl-2-methylsulfanyl-7-oxo-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-methyl-2-methylsulfanyl-7-oxo-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 4-methyl-2-methylsulfanyl-7-oxo-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid is CSc1nc2c(s1)c(=O)c(C(=O)O)cn2C.
What is the InChIKey of 4-methyl-2-methylsulfanyl-7-oxo-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is INMKALOZUINDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3S2/c1-11-3-4(8(13)14)5(12)6-7(11)10-9(15-2)16-6/h3H,1-2H3,(H,13,14).
What are the key properties of 4-methyl-2-methylsulfanyl-7-oxo-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid?
4-methyl-2-methylsulfanyl-7-oxo-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid has a molecular weight of 256.31 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylsulfanyl-7-oxo-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 58825311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).