5-methyl-[1,2]thiazolo[3,4-b]pyridin-7-ium-6-carbonitrile

C8H6N3S+ — CID 173334557

IUPAC5-methyl-[1,2]thiazolo[3,4-b]pyridin-7-ium-6-carbonitrile
SMILESCc1cc2csnc2[nH+]c1C#N
InChIInChI=1S/C8H5N3S/c1-5-2-6-4-12-11-8(6)10-7(5)3-9/h2,4H,1H3/p+1
InChIKeyQYXIYCSMMILEFJ-UHFFFAOYSA-O
MW176.22 g/mol
LogP1.29
Rot. Bonds

About 5-methyl-[1,2]thiazolo[3,4-b]pyridin-7-ium-6-carbonitrile

5-methyl-[1,2]thiazolo[3,4-b]pyridin-7-ium-6-carbonitrile (PubChem CID 173334557) has the molecular formula C8H6N3S+ and a molecular weight of 176.22 g/mol. Its IUPAC name is 5-methyl-[1,2]thiazolo[3,4-b]pyridin-7-ium-6-carbonitrile.

Molecular Properties

Compound Name5-methyl-[1,2]thiazolo[3,4-b]pyridin-7-ium-6-carbonitrile
PubChem CID173334557
Molecular FormulaC8H6N3S+
Molecular Weight176.22 g/mol
Exact Mass176.03
IUPAC Name5-methyl-[1,2]thiazolo[3,4-b]pyridin-7-ium-6-carbonitrile
SMILESCc1cc2csnc2[nH+]c1C#N
InChIInChI=1S/C8H5N3S/c1-5-2-6-4-12-11-8(6)10-7(5)3-9/h2,4H,1H3/p+1
InChIKeyQYXIYCSMMILEFJ-UHFFFAOYSA-O
XLogP1.29
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-methyl-[1,2]thiazolo[3,4-b]pyridin-7-ium-6-carbonitrile 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 5-methyl-[1,2]thiazolo[3,4-b]pyridin-7-ium-6-carbonitrile?
The IUPAC name of 5-methyl-[1,2]thiazolo[3,4-b]pyridin-7-ium-6-carbonitrile (CID 173334557) is 5-methyl-[1,2]thiazolo[3,4-b]pyridin-7-ium-6-carbonitrile.
What is the SMILES notation for 5-methyl-[1,2]thiazolo[3,4-b]pyridin-7-ium-6-carbonitrile?
The canonical SMILES for 5-methyl-[1,2]thiazolo[3,4-b]pyridin-7-ium-6-carbonitrile is Cc1cc2csnc2[nH+]c1C#N.
What is the InChIKey of 5-methyl-[1,2]thiazolo[3,4-b]pyridin-7-ium-6-carbonitrile?
The InChIKey is QYXIYCSMMILEFJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H5N3S/c1-5-2-6-4-12-11-8(6)10-7(5)3-9/h2,4H,1H3/p+1.
What are the key properties of 5-methyl-[1,2]thiazolo[3,4-b]pyridin-7-ium-6-carbonitrile?
5-methyl-[1,2]thiazolo[3,4-b]pyridin-7-ium-6-carbonitrile has a molecular weight of 176.22 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-[1,2]thiazolo[3,4-b]pyridin-7-ium-6-carbonitrile is sourced from PubChem (CID 173334557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).