6-methyl-4H-pyrido[3,2-b][1,4]thiazin-3-one

C8H8N2OS — CID 59776925

IUPAC6-methyl-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCc1ccc2c(n1)NC(=O)CS2
InChIInChI=1S/C8H8N2OS/c1-5-2-3-6-8(9-5)10-7(11)4-12-6/h2-3H,4H2,1H3,(H,9,10,11)
InChIKeyKVNUWVOKXOWLDA-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.43
Rot. Bonds

About 6-methyl-4H-pyrido[3,2-b][1,4]thiazin-3-one

6-methyl-4H-pyrido[3,2-b][1,4]thiazin-3-one (PubChem CID 59776925) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is 6-methyl-4H-pyrido[3,2-b][1,4]thiazin-3-one.

Molecular Properties

Compound Name6-methyl-4H-pyrido[3,2-b][1,4]thiazin-3-one
PubChem CID59776925
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name6-methyl-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCc1ccc2c(n1)NC(=O)CS2
InChIInChI=1S/C8H8N2OS/c1-5-2-3-6-8(9-5)10-7(11)4-12-6/h2-3H,4H2,1H3,(H,9,10,11)
InChIKeyKVNUWVOKXOWLDA-UHFFFAOYSA-N
XLogP1.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The IUPAC name of 6-methyl-4H-pyrido[3,2-b][1,4]thiazin-3-one (CID 59776925) is 6-methyl-4H-pyrido[3,2-b][1,4]thiazin-3-one.
What is the SMILES notation for 6-methyl-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The canonical SMILES for 6-methyl-4H-pyrido[3,2-b][1,4]thiazin-3-one is Cc1ccc2c(n1)NC(=O)CS2.
What is the InChIKey of 6-methyl-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The InChIKey is KVNUWVOKXOWLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c1-5-2-3-6-8(9-5)10-7(11)4-12-6/h2-3H,4H2,1H3,(H,9,10,11).
What are the key properties of 6-methyl-4H-pyrido[3,2-b][1,4]thiazin-3-one?
6-methyl-4H-pyrido[3,2-b][1,4]thiazin-3-one has a molecular weight of 180.23 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4H-pyrido[3,2-b][1,4]thiazin-3-one is sourced from PubChem (CID 59776925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).