1-(1-methyl-2,3-dihydropyrido[3,4-b][1,4]thiazin-2-yl)ethanone

C10H12N2OS — CID 58850047

IUPAC1-(1-methyl-2,3-dihydropyrido[3,4-b][1,4]thiazin-2-yl)ethanone
SMILESCC(=O)C1CSc2cnccc2N1C
InChIInChI=1S/C10H12N2OS/c1-7(13)9-6-14-10-5-11-4-3-8(10)12(9)2/h3-5,9H,6H2,1-2H3
InChIKeyGBYZUUJUAKMHHL-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.58
Rot. Bonds1

About 1-(1-methyl-2,3-dihydropyrido[3,4-b][1,4]thiazin-2-yl)ethanone

1-(1-methyl-2,3-dihydropyrido[3,4-b][1,4]thiazin-2-yl)ethanone (PubChem CID 58850047) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 1-(1-methyl-2,3-dihydropyrido[3,4-b][1,4]thiazin-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-methyl-2,3-dihydropyrido[3,4-b][1,4]thiazin-2-yl)ethanone
PubChem CID58850047
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name1-(1-methyl-2,3-dihydropyrido[3,4-b][1,4]thiazin-2-yl)ethanone
SMILESCC(=O)C1CSc2cnccc2N1C
InChIInChI=1S/C10H12N2OS/c1-7(13)9-6-14-10-5-11-4-3-8(10)12(9)2/h3-5,9H,6H2,1-2H3
InChIKeyGBYZUUJUAKMHHL-UHFFFAOYSA-N
XLogP1.58
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2,3-dihydropyrido[3,4-b][1,4]thiazin-2-yl)ethanone?
The IUPAC name of 1-(1-methyl-2,3-dihydropyrido[3,4-b][1,4]thiazin-2-yl)ethanone (CID 58850047) is 1-(1-methyl-2,3-dihydropyrido[3,4-b][1,4]thiazin-2-yl)ethanone.
What is the SMILES notation for 1-(1-methyl-2,3-dihydropyrido[3,4-b][1,4]thiazin-2-yl)ethanone?
The canonical SMILES for 1-(1-methyl-2,3-dihydropyrido[3,4-b][1,4]thiazin-2-yl)ethanone is CC(=O)C1CSc2cnccc2N1C.
What is the InChIKey of 1-(1-methyl-2,3-dihydropyrido[3,4-b][1,4]thiazin-2-yl)ethanone?
The InChIKey is GBYZUUJUAKMHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-7(13)9-6-14-10-5-11-4-3-8(10)12(9)2/h3-5,9H,6H2,1-2H3.
What are the key properties of 1-(1-methyl-2,3-dihydropyrido[3,4-b][1,4]thiazin-2-yl)ethanone?
1-(1-methyl-2,3-dihydropyrido[3,4-b][1,4]thiazin-2-yl)ethanone has a molecular weight of 208.29 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2,3-dihydropyrido[3,4-b][1,4]thiazin-2-yl)ethanone is sourced from PubChem (CID 58850047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).