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

C8H9ClN2OS — CID 126477073

IUPAC3-methyl-1H-pyrido[2,3-b][1,4]thiazin-2-one;hydrochloride
SMILESCC1Sc2ncccc2NC1=O.Cl
InChIInChI=1S/C8H8N2OS.ClH/c1-5-7(11)10-6-3-2-4-9-8(6)12-5;/h2-5H,1H3,(H,10,11);1H
InChIKeyOIOXFYRXUAEFCL-UHFFFAOYSA-N
MW216.69 g/mol
LogP1.94
Rot. Bonds

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

3-methyl-1H-pyrido[2,3-b][1,4]thiazin-2-one;hydrochloride (PubChem CID 126477073) has the molecular formula C8H9ClN2OS and a molecular weight of 216.69 g/mol. Its IUPAC name is 3-methyl-1H-pyrido[2,3-b][1,4]thiazin-2-one;hydrochloride.

Molecular Properties

Compound Name3-methyl-1H-pyrido[2,3-b][1,4]thiazin-2-one;hydrochloride
PubChem CID126477073
Molecular FormulaC8H9ClN2OS
Molecular Weight216.69 g/mol
Exact Mass216.01
IUPAC Name3-methyl-1H-pyrido[2,3-b][1,4]thiazin-2-one;hydrochloride
SMILESCC1Sc2ncccc2NC1=O.Cl
InChIInChI=1S/C8H8N2OS.ClH/c1-5-7(11)10-6-3-2-4-9-8(6)12-5;/h2-5H,1H3,(H,10,11);1H
InChIKeyOIOXFYRXUAEFCL-UHFFFAOYSA-N
XLogP1.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.69
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,7-dimethyl-1H-pyrido[2,3-b][1,4]thiazin-2-one
CID 114827396
7-chloro-3-methyl-1H-pyrido[2,3-b][1,4]thiazin-2-one
CID 114827395
ethyl 2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetate
CID 91926046
3,3-dimethyl-1H-pyrido[2,3-b][1,4]thiazin-2-one
CID 15633560
2-methyl-4H-1,4-benzothiazin-3-one;propane
CID 143681564
2-methyl-3-oxo-N-pyrimidin-2-yl-4H-1,4-benzothiazine-6-sulfonamide
CID 110759504
1-azaspiro[2.5]octane;2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetamide
CID 155721935
3-hydroxy-1,3-dihydropyrrolo[3,2-b]pyridin-2-one
CID 175730735
N-[(1-fluorocyclohexyl)methyl]-2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetamide
CID 155298451
2,5-dimethyl-4H-1,4-benzothiazin-3-one
CID 84619183
2,6,7-trimethyl-4H-1,4-benzothiazin-3-one
CID 84620961
5-methyl-2-(4-methylphenyl)-7H-[1,3]thiazolo[4,5-b][1,4]thiazin-6-one
CID 86101521

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1H-pyrido[2,3-b][1,4]thiazin-2-one;hydrochloride?
The IUPAC name of 3-methyl-1H-pyrido[2,3-b][1,4]thiazin-2-one;hydrochloride (CID 126477073) is 3-methyl-1H-pyrido[2,3-b][1,4]thiazin-2-one;hydrochloride.
What is the SMILES notation for 3-methyl-1H-pyrido[2,3-b][1,4]thiazin-2-one;hydrochloride?
The canonical SMILES for 3-methyl-1H-pyrido[2,3-b][1,4]thiazin-2-one;hydrochloride is CC1Sc2ncccc2NC1=O.Cl.
What is the InChIKey of 3-methyl-1H-pyrido[2,3-b][1,4]thiazin-2-one;hydrochloride?
The InChIKey is OIOXFYRXUAEFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS.ClH/c1-5-7(11)10-6-3-2-4-9-8(6)12-5;/h2-5H,1H3,(H,10,11);1H.
What are the key properties of 3-methyl-1H-pyrido[2,3-b][1,4]thiazin-2-one;hydrochloride?
3-methyl-1H-pyrido[2,3-b][1,4]thiazin-2-one;hydrochloride has a molecular weight of 216.69 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1H-pyrido[2,3-b][1,4]thiazin-2-one;hydrochloride is sourced from PubChem (CID 126477073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).