6-(hydroxymethyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one

C8H8N2O2S — CID 11608093

IUPAC6-(hydroxymethyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESO=C1CSc2ccc(CO)nc2N1
InChIInChI=1S/C8H8N2O2S/c11-3-5-1-2-6-8(9-5)10-7(12)4-13-6/h1-2,11H,3-4H2,(H,9,10,12)
InChIKeyQKCZJBYIJRYYFB-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.62
Rot. Bonds1

About 6-(hydroxymethyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one

6-(hydroxymethyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one (PubChem CID 11608093) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is 6-(hydroxymethyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one.

Molecular Properties

Compound Name6-(hydroxymethyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one
PubChem CID11608093
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Name6-(hydroxymethyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESO=C1CSc2ccc(CO)nc2N1
InChIInChI=1S/C8H8N2O2S/c11-3-5-1-2-6-8(9-5)10-7(12)4-13-6/h1-2,11H,3-4H2,(H,9,10,12)
InChIKeyQKCZJBYIJRYYFB-UHFFFAOYSA-N
XLogP0.62
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The IUPAC name of 6-(hydroxymethyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one (CID 11608093) is 6-(hydroxymethyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one.
What is the SMILES notation for 6-(hydroxymethyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The canonical SMILES for 6-(hydroxymethyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one is O=C1CSc2ccc(CO)nc2N1.
What is the InChIKey of 6-(hydroxymethyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The InChIKey is QKCZJBYIJRYYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c11-3-5-1-2-6-8(9-5)10-7(12)4-13-6/h1-2,11H,3-4H2,(H,9,10,12).
What are the key properties of 6-(hydroxymethyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one?
6-(hydroxymethyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one has a molecular weight of 196.23 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one is sourced from PubChem (CID 11608093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).