7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile

C9H8N2OS — CID 2318180

IUPAC7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
SMILESCc1cc(=O)n2c(c1C#N)SCC2
InChIInChI=1S/C9H8N2OS/c1-6-4-8(12)11-2-3-13-9(11)7(6)5-10/h4H,2-3H2,1H3
InChIKeyXTGMGRLUINIGIT-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.13
Rot. Bonds

About 7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile

7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile (PubChem CID 2318180) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
PubChem CID2318180
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
SMILESCc1cc(=O)n2c(c1C#N)SCC2
InChIInChI=1S/C9H8N2OS/c1-6-4-8(12)11-2-3-13-9(11)7(6)5-10/h4H,2-3H2,1H3
InChIKeyXTGMGRLUINIGIT-UHFFFAOYSA-N
XLogP1.13
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile?
The IUPAC name of 7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile (CID 2318180) is 7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile.
What is the SMILES notation for 7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile?
The canonical SMILES for 7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile is Cc1cc(=O)n2c(c1C#N)SCC2.
What is the InChIKey of 7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile?
The InChIKey is XTGMGRLUINIGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c1-6-4-8(12)11-2-3-13-9(11)7(6)5-10/h4H,2-3H2,1H3.
What are the key properties of 7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile?
7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile has a molecular weight of 192.24 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile is sourced from PubChem (CID 2318180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).