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

C19H26N4O5S — CID 17253796

IUPAC[5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)C2=CC(c3cc(OC)ccc3OC)=NS(=O)(=O)N2C)CC1
InChIInChI=1S/C19H26N4O5S/c1-5-22-8-10-23(11-9-22)19(24)17-13-16(20-29(25,26)21(17)2)15-12-14(27-3)6-7-18(15)28-4/h6-7,12-13H,5,8-11H2,1-4H3
InChIKeyFVXDVILZOKYVDQ-UHFFFAOYSA-N
MW422.51 g/mol
LogP0.73
Rot. Bonds5

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

[5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 17253796) has the molecular formula C19H26N4O5S and a molecular weight of 422.51 g/mol. Its IUPAC name is [5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID17253796
Molecular FormulaC19H26N4O5S
Molecular Weight422.51 g/mol
Exact Mass422.16
IUPAC Name[5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)C2=CC(c3cc(OC)ccc3OC)=NS(=O)(=O)N2C)CC1
InChIInChI=1S/C19H26N4O5S/c1-5-22-8-10-23(11-9-22)19(24)17-13-16(20-29(25,26)21(17)2)15-12-14(27-3)6-7-18(15)28-4/h6-7,12-13H,5,8-11H2,1-4H3
InChIKeyFVXDVILZOKYVDQ-UHFFFAOYSA-N
XLogP0.73
TPSA91.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-piperidin-1-ylmethanone
CID 17253786
(4-ethylpiperazin-1-yl)-[5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
CID 6625740
[2-(2,5-dimethoxyphenyl)quinolin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 35330467
[3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42759083
[2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 100508247
[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]-[4-(3,3-dimethylbutyl)piperazin-1-yl]methanone
CID 49025532
[2-(2,4-dimethoxyanilino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109254104
2-(2,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 51072972
[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109116727
(4-ethylpiperazin-1-yl)-(6-methoxy-1-methylindol-2-yl)methanone
CID 110849904
(3-chloro-4-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 95970558
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 17253676

Frequently Asked Questions

What is the IUPAC name of [5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-ethylpiperazin-1-yl)methanone (CID 17253796) is [5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)C2=CC(c3cc(OC)ccc3OC)=NS(=O)(=O)N2C)CC1.
What is the InChIKey of [5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is FVXDVILZOKYVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O5S/c1-5-22-8-10-23(11-9-22)19(24)17-13-16(20-29(25,26)21(17)2)15-12-14(27-3)6-7-18(15)28-4/h6-7,12-13H,5,8-11H2,1-4H3.
What are the key properties of [5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-ethylpiperazin-1-yl)methanone?
[5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 422.51 g/mol, XLogP of 0.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 17253796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).