N-[2-(6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)ethoxy]-1,1-diphenylmethanimine

C19H17N5OS — CID 10915454

IUPACN-[2-(6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)ethoxy]-1,1-diphenylmethanimine
SMILESCc1nn2c(CCON=C(c3ccccc3)c3ccccc3)nnc2s1
InChIInChI=1S/C19H17N5OS/c1-14-22-24-17(20-21-19(24)26-14)12-13-25-23-18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3
InChIKeyDHZAEBIVUSVEQD-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.51
Rot. Bonds6

About N-[2-(6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)ethoxy]-1,1-diphenylmethanimine

N-[2-(6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)ethoxy]-1,1-diphenylmethanimine (PubChem CID 10915454) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is N-[2-(6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)ethoxy]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[2-(6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)ethoxy]-1,1-diphenylmethanimine
PubChem CID10915454
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC NameN-[2-(6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)ethoxy]-1,1-diphenylmethanimine
SMILESCc1nn2c(CCON=C(c3ccccc3)c3ccccc3)nnc2s1
InChIInChI=1S/C19H17N5OS/c1-14-22-24-17(20-21-19(24)26-14)12-13-25-23-18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3
InChIKeyDHZAEBIVUSVEQD-UHFFFAOYSA-N
XLogP3.51
TPSA64.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)ethoxy]-1,1-diphenylmethanimine?
The IUPAC name of N-[2-(6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)ethoxy]-1,1-diphenylmethanimine (CID 10915454) is N-[2-(6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)ethoxy]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[2-(6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)ethoxy]-1,1-diphenylmethanimine?
The canonical SMILES for N-[2-(6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)ethoxy]-1,1-diphenylmethanimine is Cc1nn2c(CCON=C(c3ccccc3)c3ccccc3)nnc2s1.
What is the InChIKey of N-[2-(6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)ethoxy]-1,1-diphenylmethanimine?
The InChIKey is DHZAEBIVUSVEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-14-22-24-17(20-21-19(24)26-14)12-13-25-23-18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3.
What are the key properties of N-[2-(6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)ethoxy]-1,1-diphenylmethanimine?
N-[2-(6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)ethoxy]-1,1-diphenylmethanimine has a molecular weight of 363.45 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)ethoxy]-1,1-diphenylmethanimine is sourced from PubChem (CID 10915454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).