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

C9H9FN2OS — CID 142269843

IUPAC6-ethyl-7-fluoro-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCCc1nc2c(cc1F)SCC(=O)N2
InChIInChI=1S/C9H9FN2OS/c1-2-6-5(10)3-7-9(11-6)12-8(13)4-14-7/h3H,2,4H2,1H3,(H,11,12,13)
InChIKeyLEPUEPBBBUUNFQ-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.83
Rot. Bonds1

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

6-ethyl-7-fluoro-4H-pyrido[3,2-b][1,4]thiazin-3-one (PubChem CID 142269843) has the molecular formula C9H9FN2OS and a molecular weight of 212.25 g/mol. Its IUPAC name is 6-ethyl-7-fluoro-4H-pyrido[3,2-b][1,4]thiazin-3-one.

Molecular Properties

Compound Name6-ethyl-7-fluoro-4H-pyrido[3,2-b][1,4]thiazin-3-one
PubChem CID142269843
Molecular FormulaC9H9FN2OS
Molecular Weight212.25 g/mol
Exact Mass212.04
IUPAC Name6-ethyl-7-fluoro-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCCc1nc2c(cc1F)SCC(=O)N2
InChIInChI=1S/C9H9FN2OS/c1-2-6-5(10)3-7-9(11-6)12-8(13)4-14-7/h3H,2,4H2,1H3,(H,11,12,13)
InChIKeyLEPUEPBBBUUNFQ-UHFFFAOYSA-N
XLogP1.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-8H-pyrimido[5,4-b][1,4]thiazin-7-one
CID 89082670
7-bromo-6-[[(1-methylpiperidin-4-yl)amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 71157698
7-iodo-4H-[1,4]thiazino[3,2-b]quinolin-3-one
CID 138712725
6-(hydroxymethyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 11608093
6-propan-2-yl-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 59362129
(1R,3R,4R)-4-[(7-fluoro-3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]-3-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide;(1S,3S,4S)-4-[(7-fluoro-3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]-3-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide
CID 158104201
(1R,3R,4R)-4-[(7-fluoro-3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]-3-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide
CID 10414057
7-fluoro-6-[[[(3S,4R)-3-fluoro-1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 68568040
5-fluoro-4H-1,4-benzothiazin-3-one
CID 12899266
(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl) hydrogen carbonate
CID 67995894
2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one
CID 135468637
6-(1,1-difluoropropyl)-4H-1,4-benzothiazin-3-one
CID 116841301

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-7-fluoro-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The IUPAC name of 6-ethyl-7-fluoro-4H-pyrido[3,2-b][1,4]thiazin-3-one (CID 142269843) is 6-ethyl-7-fluoro-4H-pyrido[3,2-b][1,4]thiazin-3-one.
What is the SMILES notation for 6-ethyl-7-fluoro-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The canonical SMILES for 6-ethyl-7-fluoro-4H-pyrido[3,2-b][1,4]thiazin-3-one is CCc1nc2c(cc1F)SCC(=O)N2.
What is the InChIKey of 6-ethyl-7-fluoro-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The InChIKey is LEPUEPBBBUUNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2OS/c1-2-6-5(10)3-7-9(11-6)12-8(13)4-14-7/h3H,2,4H2,1H3,(H,11,12,13).
What are the key properties of 6-ethyl-7-fluoro-4H-pyrido[3,2-b][1,4]thiazin-3-one?
6-ethyl-7-fluoro-4H-pyrido[3,2-b][1,4]thiazin-3-one has a molecular weight of 212.25 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-7-fluoro-4H-pyrido[3,2-b][1,4]thiazin-3-one is sourced from PubChem (CID 142269843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).