(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

C19H19F3N4O3S — CID 37345982

IUPAC(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESO=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H19F3N4O3S/c20-19(21,22)15-2-1-3-16(12-15)24-6-8-25(9-7-24)18(27)14-4-5-17-23-30(28,29)11-10-26(17)13-14/h1-5,12-13H,6-11H2
InChIKeyZKKUMMFIMVMSKE-UHFFFAOYSA-N
MW440.45 g/mol
LogP1.85
Rot. Bonds2

About (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (PubChem CID 37345982) has the molecular formula C19H19F3N4O3S and a molecular weight of 440.45 g/mol. Its IUPAC name is (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
PubChem CID37345982
Molecular FormulaC19H19F3N4O3S
Molecular Weight440.45 g/mol
Exact Mass440.11
IUPAC Name(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESO=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H19F3N4O3S/c20-19(21,22)15-2-1-3-16(12-15)24-6-8-25(9-7-24)18(27)14-4-5-17-23-30(28,29)11-10-26(17)13-14/h1-5,12-13H,6-11H2
InChIKeyZKKUMMFIMVMSKE-UHFFFAOYSA-N
XLogP1.85
TPSA73.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The IUPAC name of (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (CID 37345982) is (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The InChIKey is ZKKUMMFIMVMSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O3S/c20-19(21,22)15-2-1-3-16(12-15)24-6-8-25(9-7-24)18(27)14-4-5-17-23-30(28,29)11-10-26(17)13-14/h1-5,12-13H,6-11H2.
What are the key properties of (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone has a molecular weight of 440.45 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 37345982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).