2-methyl-5-(4-methylphenyl)-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide

C18H18N4O3S — CID 17253537

IUPAC2-methyl-5-(4-methylphenyl)-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide
SMILESCc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NCc3ccccn3)=C2)cc1
InChIInChI=1S/C18H18N4O3S/c1-13-6-8-14(9-7-13)16-11-17(22(2)26(24,25)21-16)18(23)20-12-15-5-3-4-10-19-15/h3-11H,12H2,1-2H3,(H,20,23)
InChIKeyFLKFYDYCSANCID-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.57
Rot. Bonds4

About 2-methyl-5-(4-methylphenyl)-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide

2-methyl-5-(4-methylphenyl)-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide (PubChem CID 17253537) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-methyl-5-(4-methylphenyl)-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-5-(4-methylphenyl)-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide
PubChem CID17253537
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name2-methyl-5-(4-methylphenyl)-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide
SMILESCc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NCc3ccccn3)=C2)cc1
InChIInChI=1S/C18H18N4O3S/c1-13-6-8-14(9-7-13)16-11-17(22(2)26(24,25)21-16)18(23)20-12-15-5-3-4-10-19-15/h3-11H,12H2,1-2H3,(H,20,23)
InChIKeyFLKFYDYCSANCID-UHFFFAOYSA-N
XLogP1.57
TPSA91.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methylphenyl)-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of 2-methyl-5-(4-methylphenyl)-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide (CID 17253537) is 2-methyl-5-(4-methylphenyl)-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for 2-methyl-5-(4-methylphenyl)-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for 2-methyl-5-(4-methylphenyl)-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide is Cc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NCc3ccccn3)=C2)cc1.
What is the InChIKey of 2-methyl-5-(4-methylphenyl)-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is FLKFYDYCSANCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-13-6-8-14(9-7-13)16-11-17(22(2)26(24,25)21-16)18(23)20-12-15-5-3-4-10-19-15/h3-11H,12H2,1-2H3,(H,20,23).
What are the key properties of 2-methyl-5-(4-methylphenyl)-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide?
2-methyl-5-(4-methylphenyl)-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methylphenyl)-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 17253537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).