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

C9H10N2OS — CID 130597421

IUPAC3-ethyl-1H-pyrido[3,4-b][1,4]thiazin-2-one
SMILESCCC1Sc2cnccc2NC1=O
InChIInChI=1S/C9H10N2OS/c1-2-7-9(12)11-6-3-4-10-5-8(6)13-7/h3-5,7H,2H2,1H3,(H,11,12)
InChIKeyJQGWKJZDYLNNFK-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.90
Rot. Bonds1

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

3-ethyl-1H-pyrido[3,4-b][1,4]thiazin-2-one (PubChem CID 130597421) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is 3-ethyl-1H-pyrido[3,4-b][1,4]thiazin-2-one.

Molecular Properties

Compound Name3-ethyl-1H-pyrido[3,4-b][1,4]thiazin-2-one
PubChem CID130597421
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name3-ethyl-1H-pyrido[3,4-b][1,4]thiazin-2-one
SMILESCCC1Sc2cnccc2NC1=O
InChIInChI=1S/C9H10N2OS/c1-2-7-9(12)11-6-3-4-10-5-8(6)13-7/h3-5,7H,2H2,1H3,(H,11,12)
InChIKeyJQGWKJZDYLNNFK-UHFFFAOYSA-N
XLogP1.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-acetyl-2-ethyl-4H-1,4-benzothiazin-3-one
CID 84614787
2-ethyl-3-oxo-4H-1,4-benzothiazine-6-carbonyl chloride
CID 166899697
2-ethyl-1-methyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 79295856
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyridin-3-ylacetamide
CID 11837209
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyrazin-2-ylacetamide
CID 11837212
2-butan-2-yl-2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one
CID 79291259
2-ethyl-5,7-difluoro-4H-1,4-benzothiazin-3-one
CID 105356058
N-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 729474
N-[2-(ethylamino)-2-oxoethyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9224548
5-ethyl-2-phenylimino-1,3-thiazolidin-4-one
CID 135523619
[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]methyl acetate
CID 676908
methyl 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 718690

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1H-pyrido[3,4-b][1,4]thiazin-2-one?
The IUPAC name of 3-ethyl-1H-pyrido[3,4-b][1,4]thiazin-2-one (CID 130597421) is 3-ethyl-1H-pyrido[3,4-b][1,4]thiazin-2-one.
What is the SMILES notation for 3-ethyl-1H-pyrido[3,4-b][1,4]thiazin-2-one?
The canonical SMILES for 3-ethyl-1H-pyrido[3,4-b][1,4]thiazin-2-one is CCC1Sc2cnccc2NC1=O.
What is the InChIKey of 3-ethyl-1H-pyrido[3,4-b][1,4]thiazin-2-one?
The InChIKey is JQGWKJZDYLNNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-2-7-9(12)11-6-3-4-10-5-8(6)13-7/h3-5,7H,2H2,1H3,(H,11,12).
What are the key properties of 3-ethyl-1H-pyrido[3,4-b][1,4]thiazin-2-one?
3-ethyl-1H-pyrido[3,4-b][1,4]thiazin-2-one has a molecular weight of 194.26 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1H-pyrido[3,4-b][1,4]thiazin-2-one is sourced from PubChem (CID 130597421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).