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

C14H18N4O4S — CID 22515291

IUPAC[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2=CC(c3ccco3)=NS(=O)(=O)N2C)CC1
InChIInChI=1S/C14H18N4O4S/c1-16-5-7-18(8-6-16)14(19)12-10-11(13-4-3-9-22-13)15-23(20,21)17(12)2/h3-4,9-10H,5-8H2,1-2H3
InChIKeyOCGDXFXFADOWPV-UHFFFAOYSA-N
MW338.39 g/mol
LogP-0.08
Rot. Bonds2

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

[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 22515291) has the molecular formula C14H18N4O4S and a molecular weight of 338.39 g/mol. Its IUPAC name is [5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID22515291
Molecular FormulaC14H18N4O4S
Molecular Weight338.39 g/mol
Exact Mass338.10
IUPAC Name[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2=CC(c3ccco3)=NS(=O)(=O)N2C)CC1
InChIInChI=1S/C14H18N4O4S/c1-16-5-7-18(8-6-16)14(19)12-10-11(13-4-3-9-22-13)15-23(20,21)17(12)2/h3-4,9-10H,5-8H2,1-2H3
InChIKeyOCGDXFXFADOWPV-UHFFFAOYSA-N
XLogP-0.08
TPSA86.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Amino-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6-(5-methylfuran-2-yl)pyridazin-3-one
CID 16676621
5-(2-Furyl)-2-methyl-N-(tetrahydro-2-furanylmethyl)-2H-1,2,6-thiadiazine-3-carboxamide 1,1-dioxide
CID 22515292
N,N-diethyl-5-(2-furyl)-2-methyl-2H-1,2,6-thiadiazine-3-carboxamide 1,1-dioxide
CID 22515311
2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide
CID 46961350
5-(2-furyl)-N-isopropyl-2-methyl-2H-1,2,6-thiadiazine-3-carboxamide 1,1-dioxide
CID 6625780
2-{2-[(Dimethylsulfamoyl)amino]ethyl}-6-(furan-2-yl)-2,3-dihydropyridazin-3-one
CID 16905569
[5-(2-Furyl)-2-methyl-1,1-dioxido-2H-1,2,6-thiadiazin-3-YL](2-methyl-1-piperidinyl)methanone
CID 22515295
ethyl 4-{[3-(furan-2-yl)-6-oxopyridazin-1(6H)-yl]acetyl}piperazine-1-carboxylate
CID 45519520
6-(furan-2-yl)-2-(1-(4-(methylsulfonyl)piperazin-1-yl)-1-oxopropan-2-yl)pyridazin-3(2H)-one
CID 56723991
3(2H)-Pyridazinone, 4-amino-6-(2-furanyl)-2-[2-(4-morpholinyl)-2-oxoethyl]-
CID 16676501
5-(2-Furyl)-2-methyl-3-[(4-phenylpiperazinyl)carbonyl]-1,2,6-thiadiazine-1,1-d ione
CID 17253817
[4-(4-Fluorophenyl)-1-piperazinyl][5-(2-furyl)-2-methyl-1,1-dioxido-2H-1,2,6-thiadiazin-3-YL]methanone
CID 22515300

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-methylpiperazin-1-yl)methanone (CID 22515291) is [5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)C2=CC(c3ccco3)=NS(=O)(=O)N2C)CC1.
What is the InChIKey of [5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is OCGDXFXFADOWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4S/c1-16-5-7-18(8-6-16)14(19)12-10-11(13-4-3-9-22-13)15-23(20,21)17(12)2/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of [5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-methylpiperazin-1-yl)methanone?
[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 338.39 g/mol, XLogP of -0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 22515291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).