5-[4-(2-phenylethyl)phenyl]-1,3,4-selenadiazol-2-amine

C16H15N3Se — CID 166447283

IUPAC5-[4-(2-phenylethyl)phenyl]-1,3,4-selenadiazol-2-amine
SMILESNc1nnc(-c2ccc(CCc3ccccc3)cc2)[se]1
InChIInChI=1S/C16H15N3Se/c17-16-19-18-15(20-16)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H2,17,19)
InChIKeyDNOZHUNHAVWUTJ-UHFFFAOYSA-N
MW328.28 g/mol
LogP2.57
Rot. Bonds4

About 5-[4-(2-phenylethyl)phenyl]-1,3,4-selenadiazol-2-amine

5-[4-(2-phenylethyl)phenyl]-1,3,4-selenadiazol-2-amine (PubChem CID 166447283) has the molecular formula C16H15N3Se and a molecular weight of 328.28 g/mol. Its IUPAC name is 5-[4-(2-phenylethyl)phenyl]-1,3,4-selenadiazol-2-amine.

Molecular Properties

Compound Name5-[4-(2-phenylethyl)phenyl]-1,3,4-selenadiazol-2-amine
PubChem CID166447283
Molecular FormulaC16H15N3Se
Molecular Weight328.28 g/mol
Exact Mass329.04
IUPAC Name5-[4-(2-phenylethyl)phenyl]-1,3,4-selenadiazol-2-amine
SMILESNc1nnc(-c2ccc(CCc3ccccc3)cc2)[se]1
InChIInChI=1S/C16H15N3Se/c17-16-19-18-15(20-16)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H2,17,19)
InChIKeyDNOZHUNHAVWUTJ-UHFFFAOYSA-N
XLogP2.57
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(5-Biphenyl-4-yl-tetrazol-2-yl)-propionitrile
CID 10802348
2H-Tetrazole, 5-[1,1'-biphenyl]-4-yl-
CID 112946
5-(4-Phenylphenyl)-1,3,4-thiadiazol-2-amine
CID 3734655
5-Phenyl-1,3,4-selenadiazol-2-amine
CID 568594
2-(4-Fluorophenyl)-5-(4-methylphenyl)-1,3,4-selenadiazole
CID 42603506
2,5-Diphenyl-1,3,4-selenadiazole
CID 13866377
5-[4-[3-(2-fluorophenyl)propyl]phenyl]-2H-tetrazole
CID 58128939
5-[2-fluoro-4-[3-(2-fluorophenyl)propyl]phenyl]-2H-tetrazole
CID 58129143
5-(2-Methylphenyl)-1,3,4-selenadiazol-2-amine
CID 166447202
5-(4-Ethylphenyl)-2-[(2-fluorophenyl)methyl]tetrazole
CID 8181998
5-(4-Ethylphenyl)-2-[(3-fluorophenyl)methyl]tetrazole
CID 8182537
5-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-2H-tetrazole
CID 11043570

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-phenylethyl)phenyl]-1,3,4-selenadiazol-2-amine?
The IUPAC name of 5-[4-(2-phenylethyl)phenyl]-1,3,4-selenadiazol-2-amine (CID 166447283) is 5-[4-(2-phenylethyl)phenyl]-1,3,4-selenadiazol-2-amine.
What is the SMILES notation for 5-[4-(2-phenylethyl)phenyl]-1,3,4-selenadiazol-2-amine?
The canonical SMILES for 5-[4-(2-phenylethyl)phenyl]-1,3,4-selenadiazol-2-amine is Nc1nnc(-c2ccc(CCc3ccccc3)cc2)[se]1.
What is the InChIKey of 5-[4-(2-phenylethyl)phenyl]-1,3,4-selenadiazol-2-amine?
The InChIKey is DNOZHUNHAVWUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3Se/c17-16-19-18-15(20-16)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H2,17,19).
What are the key properties of 5-[4-(2-phenylethyl)phenyl]-1,3,4-selenadiazol-2-amine?
5-[4-(2-phenylethyl)phenyl]-1,3,4-selenadiazol-2-amine has a molecular weight of 328.28 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-phenylethyl)phenyl]-1,3,4-selenadiazol-2-amine is sourced from PubChem (CID 166447283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).