[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-methylpiperazin-1-yl)methanone

C16H19FN4O3S — CID 22515207

IUPAC[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2=CC(c3ccc(F)cc3)=NS(=O)(=O)N2C)CC1
InChIInChI=1S/C16H19FN4O3S/c1-19-7-9-21(10-8-19)16(22)15-11-14(18-25(23,24)20(15)2)12-3-5-13(17)6-4-12/h3-6,11H,7-10H2,1-2H3
InChIKeyLXZVCTDENNQXRU-UHFFFAOYSA-N
MW366.42 g/mol
LogP0.46
Rot. Bonds2

About [5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-methylpiperazin-1-yl)methanone

[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 22515207) has the molecular formula C16H19FN4O3S and a molecular weight of 366.42 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID22515207
Molecular FormulaC16H19FN4O3S
Molecular Weight366.42 g/mol
Exact Mass366.12
IUPAC Name[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2=CC(c3ccc(F)cc3)=NS(=O)(=O)N2C)CC1
InChIInChI=1S/C16H19FN4O3S/c1-19-7-9-21(10-8-19)16(22)15-11-14(18-25(23,24)20(15)2)12-3-5-13(17)6-4-12/h3-6,11H,7-10H2,1-2H3
InChIKeyLXZVCTDENNQXRU-UHFFFAOYSA-N
XLogP0.46
TPSA73.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-methylpiperazin-1-yl)methanone (CID 22515207) is [5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)C2=CC(c3ccc(F)cc3)=NS(=O)(=O)N2C)CC1.
What is the InChIKey of [5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is LXZVCTDENNQXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O3S/c1-19-7-9-21(10-8-19)16(22)15-11-14(18-25(23,24)20(15)2)12-3-5-13(17)6-4-12/h3-6,11H,7-10H2,1-2H3.
What are the key properties of [5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-methylpiperazin-1-yl)methanone?
[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 366.42 g/mol, XLogP of 0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 22515207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).