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

C9H11N3OS — CID 59003248

IUPAC6-(methylaminomethyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCNCc1ccc2c(n1)NC(=O)CS2
InChIInChI=1S/C9H11N3OS/c1-10-4-6-2-3-7-9(11-6)12-8(13)5-14-7/h2-3,10H,4-5H2,1H3,(H,11,12,13)
InChIKeyRXYLWTCGXMDZTF-UHFFFAOYSA-N
MW209.27 g/mol
LogP0.85
Rot. Bonds2

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

6-(methylaminomethyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one (PubChem CID 59003248) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 6-(methylaminomethyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one.

Molecular Properties

Compound Name6-(methylaminomethyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one
PubChem CID59003248
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name6-(methylaminomethyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCNCc1ccc2c(n1)NC(=O)CS2
InChIInChI=1S/C9H11N3OS/c1-10-4-6-2-3-7-9(11-6)12-8(13)5-14-7/h2-3,10H,4-5H2,1H3,(H,11,12,13)
InChIKeyRXYLWTCGXMDZTF-UHFFFAOYSA-N
XLogP0.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-pyridin-2-yl-2-[(2-pyridin-2-ylethyl)thio]acetamide
CID 3238824
1-(3-Keto-4-methyl-1,4-benzothiazin-6-yl)-3-(6-methyl-2-pyridyl)urea
CID 9551331
6-methyl-7-pyridin-4-yl-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 11777232
3-(benzenesulfonyl)-N-(6-methylpyridin-2-yl)propanamide
CID 3163455
10H-Pyrido(3,2-b)(1,4)benzothiazine-10-carbothioic acid, S-(2-(acetylamino)ethyl) ester
CID 215503
1H-Pyrido(3,2-b)pyrimido(4,5-e)(1,4)thiazin-4(10H)-one, 2-amino-8-methyl-
CID 3048692
6-Methylsulfanyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
CID 10512599
12-[[4-[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]piperidin-1-yl]methyl]-1,4,9-triazatricyclo[7.3.1.05,13]trideca-3,6-diene-2,8-dione
CID 134131100
7-fluoro-1-(2-(4-((3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino)piperidin-1-yl)ethyl)quinoxalin-2(1H)-one
CID 15985634
6-[[[(3R,4R)-3-fluoropiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 68565517
6-[[[(3S,4R)-3-fluoropiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 68565520
6-[[[(3S,4S)-3-fluoropiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 68565552

Frequently Asked Questions

What is the IUPAC name of 6-(methylaminomethyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The IUPAC name of 6-(methylaminomethyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one (CID 59003248) is 6-(methylaminomethyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one.
What is the SMILES notation for 6-(methylaminomethyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The canonical SMILES for 6-(methylaminomethyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one is CNCc1ccc2c(n1)NC(=O)CS2.
What is the InChIKey of 6-(methylaminomethyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The InChIKey is RXYLWTCGXMDZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-10-4-6-2-3-7-9(11-6)12-8(13)5-14-7/h2-3,10H,4-5H2,1H3,(H,11,12,13).
What are the key properties of 6-(methylaminomethyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one?
6-(methylaminomethyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one has a molecular weight of 209.27 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylaminomethyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one is sourced from PubChem (CID 59003248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).