6-(aminomethyl)-7-fluoro-4H-pyrido[3,2-b][1,4]thiazin-3-one

C8H8FN3OS — CID 70887561

IUPAC6-(aminomethyl)-7-fluoro-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESNCc1nc2c(cc1F)SCC(=O)N2
InChIInChI=1S/C8H8FN3OS/c9-4-1-6-8(11-5(4)2-10)12-7(13)3-14-6/h1H,2-3,10H2,(H,11,12,13)
InChIKeyMEJGQJDIIFRCKK-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.72
Rot. Bonds1

About 6-(aminomethyl)-7-fluoro-4H-pyrido[3,2-b][1,4]thiazin-3-one

6-(aminomethyl)-7-fluoro-4H-pyrido[3,2-b][1,4]thiazin-3-one (PubChem CID 70887561) has the molecular formula C8H8FN3OS and a molecular weight of 213.24 g/mol. Its IUPAC name is 6-(aminomethyl)-7-fluoro-4H-pyrido[3,2-b][1,4]thiazin-3-one.

Molecular Properties

Compound Name6-(aminomethyl)-7-fluoro-4H-pyrido[3,2-b][1,4]thiazin-3-one
PubChem CID70887561
Molecular FormulaC8H8FN3OS
Molecular Weight213.24 g/mol
Exact Mass213.04
IUPAC Name6-(aminomethyl)-7-fluoro-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESNCc1nc2c(cc1F)SCC(=O)N2
InChIInChI=1S/C8H8FN3OS/c9-4-1-6-8(11-5(4)2-10)12-7(13)3-14-6/h1H,2-3,10H2,(H,11,12,13)
InChIKeyMEJGQJDIIFRCKK-UHFFFAOYSA-N
XLogP0.72
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-7-fluoro-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The IUPAC name of 6-(aminomethyl)-7-fluoro-4H-pyrido[3,2-b][1,4]thiazin-3-one (CID 70887561) is 6-(aminomethyl)-7-fluoro-4H-pyrido[3,2-b][1,4]thiazin-3-one.
What is the SMILES notation for 6-(aminomethyl)-7-fluoro-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The canonical SMILES for 6-(aminomethyl)-7-fluoro-4H-pyrido[3,2-b][1,4]thiazin-3-one is NCc1nc2c(cc1F)SCC(=O)N2.
What is the InChIKey of 6-(aminomethyl)-7-fluoro-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The InChIKey is MEJGQJDIIFRCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3OS/c9-4-1-6-8(11-5(4)2-10)12-7(13)3-14-6/h1H,2-3,10H2,(H,11,12,13).
What are the key properties of 6-(aminomethyl)-7-fluoro-4H-pyrido[3,2-b][1,4]thiazin-3-one?
6-(aminomethyl)-7-fluoro-4H-pyrido[3,2-b][1,4]thiazin-3-one has a molecular weight of 213.24 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-7-fluoro-4H-pyrido[3,2-b][1,4]thiazin-3-one is sourced from PubChem (CID 70887561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).