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

C19H19FN4O3S2 — CID 17253835

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazin-3-yl)methanone
SMILESCN1C(C(=O)N2CCN(c3ccc(F)cc3)CC2)=CC(c2cccs2)=NS1(=O)=O
InChIInChI=1S/C19H19FN4O3S2/c1-22-17(13-16(21-29(22,26)27)18-3-2-12-28-18)19(25)24-10-8-23(9-11-24)15-6-4-14(20)5-7-15/h2-7,12-13H,8-11H2,1H3
InChIKeyNVXRMZLSIBPCOH-UHFFFAOYSA-N
MW434.52 g/mol
LogP2.10
Rot. Bonds3

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

[4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazin-3-yl)methanone (PubChem CID 17253835) has the molecular formula C19H19FN4O3S2 and a molecular weight of 434.52 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazin-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazin-3-yl)methanone
PubChem CID17253835
Molecular FormulaC19H19FN4O3S2
Molecular Weight434.52 g/mol
Exact Mass434.09
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazin-3-yl)methanone
SMILESCN1C(C(=O)N2CCN(c3ccc(F)cc3)CC2)=CC(c2cccs2)=NS1(=O)=O
InChIInChI=1S/C19H19FN4O3S2/c1-22-17(13-16(21-29(22,26)27)18-3-2-12-28-18)19(25)24-10-8-23(9-11-24)15-6-4-14(20)5-7-15/h2-7,12-13H,8-11H2,1H3
InChIKeyNVXRMZLSIBPCOH-UHFFFAOYSA-N
XLogP2.10
TPSA73.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazin-3-yl)methanone with MolForge

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Related Compounds

2,2-dimethyl-1-[4-(2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 22515346
methyl 2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxylate
CID 17096177
[4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone
CID 60599375
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyrimidin-2-one
CID 110332011
[4-(4-fluorophenyl)piperazin-1-yl]-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methanone
CID 46345558
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109154538
[4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
CID 110392830
(2-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 798980
4-(4-fluorophenyl)-N-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 110866159
[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 31124118
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 8967237
[4-(4-fluorophenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
CID 110762669

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazin-3-yl)methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazin-3-yl)methanone (CID 17253835) is [4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazin-3-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazin-3-yl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazin-3-yl)methanone is CN1C(C(=O)N2CCN(c3ccc(F)cc3)CC2)=CC(c2cccs2)=NS1(=O)=O.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazin-3-yl)methanone?
The InChIKey is NVXRMZLSIBPCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3S2/c1-22-17(13-16(21-29(22,26)27)18-3-2-12-28-18)19(25)24-10-8-23(9-11-24)15-6-4-14(20)5-7-15/h2-7,12-13H,8-11H2,1H3.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazin-3-yl)methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazin-3-yl)methanone has a molecular weight of 434.52 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazin-3-yl)methanone is sourced from PubChem (CID 17253835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).