3,7-dimethyl-1H-pyrido[2,3-b][1,4]thiazin-2-one

C9H10N2OS — CID 114827396

IUPAC3,7-dimethyl-1H-pyrido[2,3-b][1,4]thiazin-2-one
SMILESCc1cnc2c(c1)NC(=O)C(C)S2
InChIInChI=1S/C9H10N2OS/c1-5-3-7-9(10-4-5)13-6(2)8(12)11-7/h3-4,6H,1-2H3,(H,11,12)
InChIKeyNHKDOVZVQZBKLJ-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.82
Rot. Bonds

About 3,7-dimethyl-1H-pyrido[2,3-b][1,4]thiazin-2-one

3,7-dimethyl-1H-pyrido[2,3-b][1,4]thiazin-2-one (PubChem CID 114827396) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is 3,7-dimethyl-1H-pyrido[2,3-b][1,4]thiazin-2-one.

Molecular Properties

Compound Name3,7-dimethyl-1H-pyrido[2,3-b][1,4]thiazin-2-one
PubChem CID114827396
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name3,7-dimethyl-1H-pyrido[2,3-b][1,4]thiazin-2-one
SMILESCc1cnc2c(c1)NC(=O)C(C)S2
InChIInChI=1S/C9H10N2OS/c1-5-3-7-9(10-4-5)13-6(2)8(12)11-7/h3-4,6H,1-2H3,(H,11,12)
InChIKeyNHKDOVZVQZBKLJ-UHFFFAOYSA-N
XLogP1.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-1H-pyrido[2,3-b][1,4]thiazin-2-one?
The IUPAC name of 3,7-dimethyl-1H-pyrido[2,3-b][1,4]thiazin-2-one (CID 114827396) is 3,7-dimethyl-1H-pyrido[2,3-b][1,4]thiazin-2-one.
What is the SMILES notation for 3,7-dimethyl-1H-pyrido[2,3-b][1,4]thiazin-2-one?
The canonical SMILES for 3,7-dimethyl-1H-pyrido[2,3-b][1,4]thiazin-2-one is Cc1cnc2c(c1)NC(=O)C(C)S2.
What is the InChIKey of 3,7-dimethyl-1H-pyrido[2,3-b][1,4]thiazin-2-one?
The InChIKey is NHKDOVZVQZBKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-5-3-7-9(10-4-5)13-6(2)8(12)11-7/h3-4,6H,1-2H3,(H,11,12).
What are the key properties of 3,7-dimethyl-1H-pyrido[2,3-b][1,4]thiazin-2-one?
3,7-dimethyl-1H-pyrido[2,3-b][1,4]thiazin-2-one has a molecular weight of 194.26 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-1H-pyrido[2,3-b][1,4]thiazin-2-one is sourced from PubChem (CID 114827396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).