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

C19H20N4O4S — CID 17253817

IUPAC[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCN1C(C(=O)N2CCN(c3ccccc3)CC2)=CC(c2ccco2)=NS1(=O)=O
InChIInChI=1S/C19H20N4O4S/c1-21-17(14-16(20-28(21,25)26)18-8-5-13-27-18)19(24)23-11-9-22(10-12-23)15-6-3-2-4-7-15/h2-8,13-14H,9-12H2,1H3
InChIKeyAVPNCXUDMIXYCS-UHFFFAOYSA-N
MW400.46 g/mol
LogP1.49
Rot. Bonds3

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

[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 17253817) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is [5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID17253817
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Name[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCN1C(C(=O)N2CCN(c3ccccc3)CC2)=CC(c2ccco2)=NS1(=O)=O
InChIInChI=1S/C19H20N4O4S/c1-21-17(14-16(20-28(21,25)26)18-8-5-13-27-18)19(24)23-11-9-22(10-12-23)15-6-3-2-4-7-15/h2-8,13-14H,9-12H2,1H3
InChIKeyAVPNCXUDMIXYCS-UHFFFAOYSA-N
XLogP1.49
TPSA86.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-phenylpiperazin-1-yl)methanone?
The IUPAC name of [5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-phenylpiperazin-1-yl)methanone (CID 17253817) is [5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-phenylpiperazin-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-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-phenylpiperazin-1-yl)methanone is CN1C(C(=O)N2CCN(c3ccccc3)CC2)=CC(c2ccco2)=NS1(=O)=O.
What is the InChIKey of [5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is AVPNCXUDMIXYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-21-17(14-16(20-28(21,25)26)18-8-5-13-27-18)19(24)23-11-9-22(10-12-23)15-6-3-2-4-7-15/h2-8,13-14H,9-12H2,1H3.
What are the key properties of [5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 400.46 g/mol, XLogP of 1.49, 3 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-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 17253817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).