3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one

C16H18N4O4S — CID 67462876

IUPAC3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1CC(=O)NN=C1c1ccc2nc(N3CCS(=O)(=O)CC3)oc2c1
InChIInChI=1S/C16H18N4O4S/c1-10-8-14(21)18-19-15(10)11-2-3-12-13(9-11)24-16(17-12)20-4-6-25(22,23)7-5-20/h2-3,9-10H,4-8H2,1H3,(H,18,21)
InChIKeyUXONRVSXGFZVCO-UHFFFAOYSA-N
MW362.41 g/mol
LogP0.92
Rot. Bonds2

About 3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one

3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 67462876) has the molecular formula C16H18N4O4S and a molecular weight of 362.41 g/mol. Its IUPAC name is 3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID67462876
Molecular FormulaC16H18N4O4S
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC Name3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1CC(=O)NN=C1c1ccc2nc(N3CCS(=O)(=O)CC3)oc2c1
InChIInChI=1S/C16H18N4O4S/c1-10-8-14(21)18-19-15(10)11-2-3-12-13(9-11)24-16(17-12)20-4-6-25(22,23)7-5-20/h2-3,9-10H,4-8H2,1H3,(H,18,21)
InChIKeyUXONRVSXGFZVCO-UHFFFAOYSA-N
XLogP0.92
TPSA104.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one 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-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one (CID 67462876) is 3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one is CC1CC(=O)NN=C1c1ccc2nc(N3CCS(=O)(=O)CC3)oc2c1.
What is the InChIKey of 3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is UXONRVSXGFZVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4S/c1-10-8-14(21)18-19-15(10)11-2-3-12-13(9-11)24-16(17-12)20-4-6-25(22,23)7-5-20/h2-3,9-10H,4-8H2,1H3,(H,18,21).
What are the key properties of 3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 362.41 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 67462876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).