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

C19H19FN4O4S — CID 22515300

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
SMILESCN1C(C(=O)N2CCN(c3ccc(F)cc3)CC2)=CC(c2ccco2)=NS1(=O)=O
InChIInChI=1S/C19H19FN4O4S/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
InChIKeyRRLZKTZBKKTCJC-UHFFFAOYSA-N
MW418.45 g/mol
LogP1.63
Rot. Bonds3

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

[4-(4-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone (PubChem CID 22515300) has the molecular formula C19H19FN4O4S and a molecular weight of 418.45 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
PubChem CID22515300
Molecular FormulaC19H19FN4O4S
Molecular Weight418.45 g/mol
Exact Mass418.11
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
SMILESCN1C(C(=O)N2CCN(c3ccc(F)cc3)CC2)=CC(c2ccco2)=NS1(=O)=O
InChIInChI=1S/C19H19FN4O4S/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
InChIKeyRRLZKTZBKKTCJC-UHFFFAOYSA-N
XLogP1.63
TPSA86.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone (CID 22515300) is [4-(4-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone is CN1C(C(=O)N2CCN(c3ccc(F)cc3)CC2)=CC(c2ccco2)=NS1(=O)=O.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
The InChIKey is RRLZKTZBKKTCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O4S/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]-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone has a molecular weight of 418.45 g/mol, XLogP of 1.63, 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]-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone is sourced from PubChem (CID 22515300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).