5-(1-ethyl-5-methylpyrazol-4-yl)-N-(furan-2-ylmethyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide

C16H19N5O4S — CID 46962263

IUPAC5-(1-ethyl-5-methylpyrazol-4-yl)-N-(furan-2-ylmethyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCCn1ncc(C2=NS(=O)(=O)N(C)C(C(=O)NCc3ccco3)=C2)c1C
InChIInChI=1S/C16H19N5O4S/c1-4-21-11(2)13(10-18-21)14-8-15(20(3)26(23,24)19-14)16(22)17-9-12-6-5-7-25-12/h5-8,10H,4,9H2,1-3H3,(H,17,22)
InChIKeyATNCEASYDPWNIS-UHFFFAOYSA-N
MW377.43 g/mol
LogP0.98
Rot. Bonds5

About 5-(1-ethyl-5-methylpyrazol-4-yl)-N-(furan-2-ylmethyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide

5-(1-ethyl-5-methylpyrazol-4-yl)-N-(furan-2-ylmethyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (PubChem CID 46962263) has the molecular formula C16H19N5O4S and a molecular weight of 377.43 g/mol. Its IUPAC name is 5-(1-ethyl-5-methylpyrazol-4-yl)-N-(furan-2-ylmethyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound Name5-(1-ethyl-5-methylpyrazol-4-yl)-N-(furan-2-ylmethyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
PubChem CID46962263
Molecular FormulaC16H19N5O4S
Molecular Weight377.43 g/mol
Exact Mass377.12
IUPAC Name5-(1-ethyl-5-methylpyrazol-4-yl)-N-(furan-2-ylmethyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCCn1ncc(C2=NS(=O)(=O)N(C)C(C(=O)NCc3ccco3)=C2)c1C
InChIInChI=1S/C16H19N5O4S/c1-4-21-11(2)13(10-18-21)14-8-15(20(3)26(23,24)19-14)16(22)17-9-12-6-5-7-25-12/h5-8,10H,4,9H2,1-3H3,(H,17,22)
InChIKeyATNCEASYDPWNIS-UHFFFAOYSA-N
XLogP0.98
TPSA109.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethyl-5-methylpyrazol-4-yl)-N-(furan-2-ylmethyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of 5-(1-ethyl-5-methylpyrazol-4-yl)-N-(furan-2-ylmethyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (CID 46962263) is 5-(1-ethyl-5-methylpyrazol-4-yl)-N-(furan-2-ylmethyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for 5-(1-ethyl-5-methylpyrazol-4-yl)-N-(furan-2-ylmethyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for 5-(1-ethyl-5-methylpyrazol-4-yl)-N-(furan-2-ylmethyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is CCn1ncc(C2=NS(=O)(=O)N(C)C(C(=O)NCc3ccco3)=C2)c1C.
What is the InChIKey of 5-(1-ethyl-5-methylpyrazol-4-yl)-N-(furan-2-ylmethyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is ATNCEASYDPWNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O4S/c1-4-21-11(2)13(10-18-21)14-8-15(20(3)26(23,24)19-14)16(22)17-9-12-6-5-7-25-12/h5-8,10H,4,9H2,1-3H3,(H,17,22).
What are the key properties of 5-(1-ethyl-5-methylpyrazol-4-yl)-N-(furan-2-ylmethyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
5-(1-ethyl-5-methylpyrazol-4-yl)-N-(furan-2-ylmethyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 377.43 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethyl-5-methylpyrazol-4-yl)-N-(furan-2-ylmethyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 46962263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).