2,2-dioxo-N-(4-propan-2-ylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide

C17H19N3O3S — CID 8777356

IUPAC2,2-dioxo-N-(4-propan-2-ylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1
InChIInChI=1S/C17H19N3O3S/c1-12(2)13-5-7-14(8-6-13)18-17(21)15-4-3-9-20-10-11-24(22,23)19-16(15)20/h3-9,12H,10-11H2,1-2H3,(H,18,21)
InChIKeyASCHVCPAOUSKIZ-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.25
Rot. Bonds3

About 2,2-dioxo-N-(4-propan-2-ylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide

2,2-dioxo-N-(4-propan-2-ylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (PubChem CID 8777356) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 2,2-dioxo-N-(4-propan-2-ylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.

Molecular Properties

Compound Name2,2-dioxo-N-(4-propan-2-ylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
PubChem CID8777356
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name2,2-dioxo-N-(4-propan-2-ylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1
InChIInChI=1S/C17H19N3O3S/c1-12(2)13-5-7-14(8-6-13)18-17(21)15-4-3-9-20-10-11-24(22,23)19-16(15)20/h3-9,12H,10-11H2,1-2H3,(H,18,21)
InChIKeyASCHVCPAOUSKIZ-UHFFFAOYSA-N
XLogP2.25
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dioxo-N-(4-propan-2-ylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The IUPAC name of 2,2-dioxo-N-(4-propan-2-ylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (CID 8777356) is 2,2-dioxo-N-(4-propan-2-ylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.
What is the SMILES notation for 2,2-dioxo-N-(4-propan-2-ylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The canonical SMILES for 2,2-dioxo-N-(4-propan-2-ylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is CC(C)c1ccc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1.
What is the InChIKey of 2,2-dioxo-N-(4-propan-2-ylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The InChIKey is ASCHVCPAOUSKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-12(2)13-5-7-14(8-6-13)18-17(21)15-4-3-9-20-10-11-24(22,23)19-16(15)20/h3-9,12H,10-11H2,1-2H3,(H,18,21).
What are the key properties of 2,2-dioxo-N-(4-propan-2-ylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
2,2-dioxo-N-(4-propan-2-ylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dioxo-N-(4-propan-2-ylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is sourced from PubChem (CID 8777356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).