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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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).