3-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine

C5H10N2O2S — CID 138718190

IUPAC3-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine
SMILESCC1CS(=O)(=O)CC(N)=N1
InChIInChI=1S/C5H10N2O2S/c1-4-2-10(8,9)3-5(6)7-4/h4H,2-3H2,1H3,(H2,6,7)
InChIKeyFZRKXTKTRBLWMR-UHFFFAOYSA-N
MW162.21 g/mol
LogP-0.84
Rot. Bonds

About 3-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine

3-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine (PubChem CID 138718190) has the molecular formula C5H10N2O2S and a molecular weight of 162.21 g/mol. Its IUPAC name is 3-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine.

Molecular Properties

Compound Name3-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine
PubChem CID138718190
Molecular FormulaC5H10N2O2S
Molecular Weight162.21 g/mol
Exact Mass162.05
IUPAC Name3-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine
SMILESCC1CS(=O)(=O)CC(N)=N1
InChIInChI=1S/C5H10N2O2S/c1-4-2-10(8,9)3-5(6)7-4/h4H,2-3H2,1H3,(H2,6,7)
InChIKeyFZRKXTKTRBLWMR-UHFFFAOYSA-N
XLogP-0.84
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine 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 3-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine?
The IUPAC name of 3-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine (CID 138718190) is 3-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine.
What is the SMILES notation for 3-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine?
The canonical SMILES for 3-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine is CC1CS(=O)(=O)CC(N)=N1.
What is the InChIKey of 3-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine?
The InChIKey is FZRKXTKTRBLWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2S/c1-4-2-10(8,9)3-5(6)7-4/h4H,2-3H2,1H3,(H2,6,7).
What are the key properties of 3-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine?
3-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine has a molecular weight of 162.21 g/mol, XLogP of -0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine is sourced from PubChem (CID 138718190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).