1-(benzotriazol-1-yl)-N-(2-methylpropyl)-1-thiophen-2-ylmethanimine

C15H16N4S — CID 135050171

IUPAC1-(benzotriazol-1-yl)-N-(2-methylpropyl)-1-thiophen-2-ylmethanimine
SMILESCC(C)C/N=C(\c1cccs1)n1nnc2ccccc21
InChIInChI=1S/C15H16N4S/c1-11(2)10-16-15(14-8-5-9-20-14)19-13-7-4-3-6-12(13)17-18-19/h3-9,11H,10H2,1-2H3/b16-15+
InChIKeyZNJDSLGDCASNKS-FOCLMDBBSA-N
MW284.39 g/mol
LogP3.44
Rot. Bonds3

About 1-(benzotriazol-1-yl)-N-(2-methylpropyl)-1-thiophen-2-ylmethanimine

1-(benzotriazol-1-yl)-N-(2-methylpropyl)-1-thiophen-2-ylmethanimine (PubChem CID 135050171) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 1-(benzotriazol-1-yl)-N-(2-methylpropyl)-1-thiophen-2-ylmethanimine.

Molecular Properties

Compound Name1-(benzotriazol-1-yl)-N-(2-methylpropyl)-1-thiophen-2-ylmethanimine
PubChem CID135050171
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name1-(benzotriazol-1-yl)-N-(2-methylpropyl)-1-thiophen-2-ylmethanimine
SMILESCC(C)C/N=C(\c1cccs1)n1nnc2ccccc21
InChIInChI=1S/C15H16N4S/c1-11(2)10-16-15(14-8-5-9-20-14)19-13-7-4-3-6-12(13)17-18-19/h3-9,11H,10H2,1-2H3/b16-15+
InChIKeyZNJDSLGDCASNKS-FOCLMDBBSA-N
XLogP3.44
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-(benzotriazol-1-yl)-N-(2-methylpropyl)-1-thiophen-2-ylmethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(benzotriazol-1-yl)-N-(2-methylpropyl)-1-thiophen-2-ylmethanimine?
The IUPAC name of 1-(benzotriazol-1-yl)-N-(2-methylpropyl)-1-thiophen-2-ylmethanimine (CID 135050171) is 1-(benzotriazol-1-yl)-N-(2-methylpropyl)-1-thiophen-2-ylmethanimine.
What is the SMILES notation for 1-(benzotriazol-1-yl)-N-(2-methylpropyl)-1-thiophen-2-ylmethanimine?
The canonical SMILES for 1-(benzotriazol-1-yl)-N-(2-methylpropyl)-1-thiophen-2-ylmethanimine is CC(C)C/N=C(\c1cccs1)n1nnc2ccccc21.
What is the InChIKey of 1-(benzotriazol-1-yl)-N-(2-methylpropyl)-1-thiophen-2-ylmethanimine?
The InChIKey is ZNJDSLGDCASNKS-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H16N4S/c1-11(2)10-16-15(14-8-5-9-20-14)19-13-7-4-3-6-12(13)17-18-19/h3-9,11H,10H2,1-2H3/b16-15+.
What are the key properties of 1-(benzotriazol-1-yl)-N-(2-methylpropyl)-1-thiophen-2-ylmethanimine?
1-(benzotriazol-1-yl)-N-(2-methylpropyl)-1-thiophen-2-ylmethanimine has a molecular weight of 284.39 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzotriazol-1-yl)-N-(2-methylpropyl)-1-thiophen-2-ylmethanimine is sourced from PubChem (CID 135050171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).