N-ethyl-N-([1,2,4]thiadiazolo[4,5-a]benzimidazol-1-ylmethyl)ethanamine

C13H16N4S — CID 23303056

IUPACN-ethyl-N-([1,2,4]thiadiazolo[4,5-a]benzimidazol-1-ylmethyl)ethanamine
SMILESCCN(CC)Cc1nsc2nc3ccccc3n12
InChIInChI=1S/C13H16N4S/c1-3-16(4-2)9-12-15-18-13-14-10-7-5-6-8-11(10)17(12)13/h5-8H,3-4,9H2,1-2H3
InChIKeyCZCKROURIKZBSV-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.79
Rot. Bonds4

About N-ethyl-N-([1,2,4]thiadiazolo[4,5-a]benzimidazol-1-ylmethyl)ethanamine

N-ethyl-N-([1,2,4]thiadiazolo[4,5-a]benzimidazol-1-ylmethyl)ethanamine (PubChem CID 23303056) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is N-ethyl-N-([1,2,4]thiadiazolo[4,5-a]benzimidazol-1-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-N-([1,2,4]thiadiazolo[4,5-a]benzimidazol-1-ylmethyl)ethanamine
PubChem CID23303056
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC NameN-ethyl-N-([1,2,4]thiadiazolo[4,5-a]benzimidazol-1-ylmethyl)ethanamine
SMILESCCN(CC)Cc1nsc2nc3ccccc3n12
InChIInChI=1S/C13H16N4S/c1-3-16(4-2)9-12-15-18-13-14-10-7-5-6-8-11(10)17(12)13/h5-8H,3-4,9H2,1-2H3
InChIKeyCZCKROURIKZBSV-UHFFFAOYSA-N
XLogP2.79
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_N_5A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-([1,2,4]thiadiazolo[4,5-a]benzimidazol-1-ylmethyl)ethanamine?
The IUPAC name of N-ethyl-N-([1,2,4]thiadiazolo[4,5-a]benzimidazol-1-ylmethyl)ethanamine (CID 23303056) is N-ethyl-N-([1,2,4]thiadiazolo[4,5-a]benzimidazol-1-ylmethyl)ethanamine.
What is the SMILES notation for N-ethyl-N-([1,2,4]thiadiazolo[4,5-a]benzimidazol-1-ylmethyl)ethanamine?
The canonical SMILES for N-ethyl-N-([1,2,4]thiadiazolo[4,5-a]benzimidazol-1-ylmethyl)ethanamine is CCN(CC)Cc1nsc2nc3ccccc3n12.
What is the InChIKey of N-ethyl-N-([1,2,4]thiadiazolo[4,5-a]benzimidazol-1-ylmethyl)ethanamine?
The InChIKey is CZCKROURIKZBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S/c1-3-16(4-2)9-12-15-18-13-14-10-7-5-6-8-11(10)17(12)13/h5-8H,3-4,9H2,1-2H3.
What are the key properties of N-ethyl-N-([1,2,4]thiadiazolo[4,5-a]benzimidazol-1-ylmethyl)ethanamine?
N-ethyl-N-([1,2,4]thiadiazolo[4,5-a]benzimidazol-1-ylmethyl)ethanamine has a molecular weight of 260.37 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-([1,2,4]thiadiazolo[4,5-a]benzimidazol-1-ylmethyl)ethanamine is sourced from PubChem (CID 23303056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).