7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-6-carbonitrile

C9H8N2OS — CID 11041602

IUPAC7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-6-carbonitrile
SMILESCc1cc2n(c(=O)c1C#N)CCS2
InChIInChI=1S/C9H8N2OS/c1-6-4-8-11(2-3-13-8)9(12)7(6)5-10/h4H,2-3H2,1H3
InChIKeyAKYULTXTSUHABE-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-6-carbonitrile

7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-6-carbonitrile (PubChem CID 11041602) 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-6-carbonitrile.

Molecular Properties

Compound Name7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-6-carbonitrile
PubChem CID11041602
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-6-carbonitrile
SMILESCc1cc2n(c(=O)c1C#N)CCS2
InChIInChI=1S/C9H8N2OS/c1-6-4-8-11(2-3-13-8)9(12)7(6)5-10/h4H,2-3H2,1H3
InChIKeyAKYULTXTSUHABE-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-6-carbonitrile?
The IUPAC name of 7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-6-carbonitrile (CID 11041602) is 7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-6-carbonitrile.
What is the SMILES notation for 7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-6-carbonitrile?
The canonical SMILES for 7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-6-carbonitrile is Cc1cc2n(c(=O)c1C#N)CCS2.
What is the InChIKey of 7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-6-carbonitrile?
The InChIKey is AKYULTXTSUHABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c1-6-4-8-11(2-3-13-8)9(12)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-6-carbonitrile?
7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-6-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-6-carbonitrile is sourced from PubChem (CID 11041602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).