5,6-dimethyl-4-oxo-[1,2]thiazolo[4,3-c]pyridine-3-carbonitrile

C9H7N3OS — CID 82396318

IUPAC5,6-dimethyl-4-oxo-[1,2]thiazolo[4,3-c]pyridine-3-carbonitrile
SMILESCc1cc2nsc(C#N)c2c(=O)n1C
InChIInChI=1S/C9H7N3OS/c1-5-3-6-8(9(13)12(5)2)7(4-10)14-11-6/h3H,1-2H3
InChIKeyQWHNYTBFGBUWKU-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.18
Rot. Bonds

About 5,6-dimethyl-4-oxo-[1,2]thiazolo[4,3-c]pyridine-3-carbonitrile

5,6-dimethyl-4-oxo-[1,2]thiazolo[4,3-c]pyridine-3-carbonitrile (PubChem CID 82396318) has the molecular formula C9H7N3OS and a molecular weight of 205.24 g/mol. Its IUPAC name is 5,6-dimethyl-4-oxo-[1,2]thiazolo[4,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-4-oxo-[1,2]thiazolo[4,3-c]pyridine-3-carbonitrile
PubChem CID82396318
Molecular FormulaC9H7N3OS
Molecular Weight205.24 g/mol
Exact Mass205.03
IUPAC Name5,6-dimethyl-4-oxo-[1,2]thiazolo[4,3-c]pyridine-3-carbonitrile
SMILESCc1cc2nsc(C#N)c2c(=O)n1C
InChIInChI=1S/C9H7N3OS/c1-5-3-6-8(9(13)12(5)2)7(4-10)14-11-6/h3H,1-2H3
InChIKeyQWHNYTBFGBUWKU-UHFFFAOYSA-N
XLogP1.18
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4-oxo-[1,2]thiazolo[4,3-c]pyridine-3-carbonitrile?
The IUPAC name of 5,6-dimethyl-4-oxo-[1,2]thiazolo[4,3-c]pyridine-3-carbonitrile (CID 82396318) is 5,6-dimethyl-4-oxo-[1,2]thiazolo[4,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-4-oxo-[1,2]thiazolo[4,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 5,6-dimethyl-4-oxo-[1,2]thiazolo[4,3-c]pyridine-3-carbonitrile is Cc1cc2nsc(C#N)c2c(=O)n1C.
What is the InChIKey of 5,6-dimethyl-4-oxo-[1,2]thiazolo[4,3-c]pyridine-3-carbonitrile?
The InChIKey is QWHNYTBFGBUWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3OS/c1-5-3-6-8(9(13)12(5)2)7(4-10)14-11-6/h3H,1-2H3.
What are the key properties of 5,6-dimethyl-4-oxo-[1,2]thiazolo[4,3-c]pyridine-3-carbonitrile?
5,6-dimethyl-4-oxo-[1,2]thiazolo[4,3-c]pyridine-3-carbonitrile has a molecular weight of 205.24 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4-oxo-[1,2]thiazolo[4,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 82396318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).