5-(furan-2-yl)-N,2-dimethyl-1,1-dioxo-N-phenyl-1,2,6-thiadiazine-3-carboxamide

C16H15N3O4S — CID 22515309

IUPAC5-(furan-2-yl)-N,2-dimethyl-1,1-dioxo-N-phenyl-1,2,6-thiadiazine-3-carboxamide
SMILESCN(C(=O)C1=CC(c2ccco2)=NS(=O)(=O)N1C)c1ccccc1
InChIInChI=1S/C16H15N3O4S/c1-18(12-7-4-3-5-8-12)16(20)14-11-13(15-9-6-10-23-15)17-24(21,22)19(14)2/h3-11H,1-2H3
InChIKeyBTSICKLXMMIAFE-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.81
Rot. Bonds3

About 5-(furan-2-yl)-N,2-dimethyl-1,1-dioxo-N-phenyl-1,2,6-thiadiazine-3-carboxamide

5-(furan-2-yl)-N,2-dimethyl-1,1-dioxo-N-phenyl-1,2,6-thiadiazine-3-carboxamide (PubChem CID 22515309) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is 5-(furan-2-yl)-N,2-dimethyl-1,1-dioxo-N-phenyl-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N,2-dimethyl-1,1-dioxo-N-phenyl-1,2,6-thiadiazine-3-carboxamide
PubChem CID22515309
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC Name5-(furan-2-yl)-N,2-dimethyl-1,1-dioxo-N-phenyl-1,2,6-thiadiazine-3-carboxamide
SMILESCN(C(=O)C1=CC(c2ccco2)=NS(=O)(=O)N1C)c1ccccc1
InChIInChI=1S/C16H15N3O4S/c1-18(12-7-4-3-5-8-12)16(20)14-11-13(15-9-6-10-23-15)17-24(21,22)19(14)2/h3-11H,1-2H3
InChIKeyBTSICKLXMMIAFE-UHFFFAOYSA-N
XLogP1.81
TPSA83.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N,2-dimethyl-1,1-dioxo-N-phenyl-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N,2-dimethyl-1,1-dioxo-N-phenyl-1,2,6-thiadiazine-3-carboxamide (CID 22515309) is 5-(furan-2-yl)-N,2-dimethyl-1,1-dioxo-N-phenyl-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N,2-dimethyl-1,1-dioxo-N-phenyl-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N,2-dimethyl-1,1-dioxo-N-phenyl-1,2,6-thiadiazine-3-carboxamide is CN(C(=O)C1=CC(c2ccco2)=NS(=O)(=O)N1C)c1ccccc1.
What is the InChIKey of 5-(furan-2-yl)-N,2-dimethyl-1,1-dioxo-N-phenyl-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is BTSICKLXMMIAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-18(12-7-4-3-5-8-12)16(20)14-11-13(15-9-6-10-23-15)17-24(21,22)19(14)2/h3-11H,1-2H3.
What are the key properties of 5-(furan-2-yl)-N,2-dimethyl-1,1-dioxo-N-phenyl-1,2,6-thiadiazine-3-carboxamide?
5-(furan-2-yl)-N,2-dimethyl-1,1-dioxo-N-phenyl-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 345.38 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N,2-dimethyl-1,1-dioxo-N-phenyl-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 22515309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).