3,6-diphenyl-N-propyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide

C20H21N5OS — CID 17088366

IUPAC3,6-diphenyl-N-propyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
SMILESCCCNC(=O)C1Sc2nnc(-c3ccccc3)n2NC1c1ccccc1
InChIInChI=1S/C20H21N5OS/c1-2-13-21-19(26)17-16(14-9-5-3-6-10-14)24-25-18(22-23-20(25)27-17)15-11-7-4-8-12-15/h3-12,16-17,24H,2,13H2,1H3,(H,21,26)
InChIKeyISJMCCSMYIVLNF-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.23
Rot. Bonds5

About 3,6-diphenyl-N-propyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide

3,6-diphenyl-N-propyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide (PubChem CID 17088366) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is 3,6-diphenyl-N-propyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound Name3,6-diphenyl-N-propyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
PubChem CID17088366
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC Name3,6-diphenyl-N-propyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
SMILESCCCNC(=O)C1Sc2nnc(-c3ccccc3)n2NC1c1ccccc1
InChIInChI=1S/C20H21N5OS/c1-2-13-21-19(26)17-16(14-9-5-3-6-10-14)24-25-18(22-23-20(25)27-17)15-11-7-4-8-12-15/h3-12,16-17,24H,2,13H2,1H3,(H,21,26)
InChIKeyISJMCCSMYIVLNF-UHFFFAOYSA-N
XLogP3.23
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,6-diphenyl-N-propyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide?
The IUPAC name of 3,6-diphenyl-N-propyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide (CID 17088366) is 3,6-diphenyl-N-propyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide.
What is the SMILES notation for 3,6-diphenyl-N-propyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide?
The canonical SMILES for 3,6-diphenyl-N-propyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide is CCCNC(=O)C1Sc2nnc(-c3ccccc3)n2NC1c1ccccc1.
What is the InChIKey of 3,6-diphenyl-N-propyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide?
The InChIKey is ISJMCCSMYIVLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c1-2-13-21-19(26)17-16(14-9-5-3-6-10-14)24-25-18(22-23-20(25)27-17)15-11-7-4-8-12-15/h3-12,16-17,24H,2,13H2,1H3,(H,21,26).
What are the key properties of 3,6-diphenyl-N-propyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide?
3,6-diphenyl-N-propyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diphenyl-N-propyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 17088366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).