1-(3,6-dihydro-2H-1,4-thiazin-5-yl)ethanone

C6H9NOS — CID 45085694

IUPAC1-(3,6-dihydro-2H-1,4-thiazin-5-yl)ethanone
SMILESCC(=O)C1=NCCSC1
InChIInChI=1S/C6H9NOS/c1-5(8)6-4-9-3-2-7-6/h2-4H2,1H3
InChIKeyCVSDWQMCDSGZPD-UHFFFAOYSA-N
MW143.21 g/mol
LogP0.76
Rot. Bonds1

About 1-(3,6-dihydro-2H-1,4-thiazin-5-yl)ethanone

1-(3,6-dihydro-2H-1,4-thiazin-5-yl)ethanone (PubChem CID 45085694) has the molecular formula C6H9NOS and a molecular weight of 143.21 g/mol. Its IUPAC name is 1-(3,6-dihydro-2H-1,4-thiazin-5-yl)ethanone.

Molecular Properties

Compound Name1-(3,6-dihydro-2H-1,4-thiazin-5-yl)ethanone
PubChem CID45085694
Molecular FormulaC6H9NOS
Molecular Weight143.21 g/mol
Exact Mass143.04
IUPAC Name1-(3,6-dihydro-2H-1,4-thiazin-5-yl)ethanone
SMILESCC(=O)C1=NCCSC1
InChIInChI=1S/C6H9NOS/c1-5(8)6-4-9-3-2-7-6/h2-4H2,1H3
InChIKeyCVSDWQMCDSGZPD-UHFFFAOYSA-N
XLogP0.76
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3,6-dihydro-2H-1,4-thiazin-5-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dihydro-2H-1,4-thiazin-5-yl)ethanone?
The IUPAC name of 1-(3,6-dihydro-2H-1,4-thiazin-5-yl)ethanone (CID 45085694) is 1-(3,6-dihydro-2H-1,4-thiazin-5-yl)ethanone.
What is the SMILES notation for 1-(3,6-dihydro-2H-1,4-thiazin-5-yl)ethanone?
The canonical SMILES for 1-(3,6-dihydro-2H-1,4-thiazin-5-yl)ethanone is CC(=O)C1=NCCSC1.
What is the InChIKey of 1-(3,6-dihydro-2H-1,4-thiazin-5-yl)ethanone?
The InChIKey is CVSDWQMCDSGZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NOS/c1-5(8)6-4-9-3-2-7-6/h2-4H2,1H3.
What are the key properties of 1-(3,6-dihydro-2H-1,4-thiazin-5-yl)ethanone?
1-(3,6-dihydro-2H-1,4-thiazin-5-yl)ethanone has a molecular weight of 143.21 g/mol, XLogP of 0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dihydro-2H-1,4-thiazin-5-yl)ethanone is sourced from PubChem (CID 45085694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).