5-(2-phenylquinolin-4-yl)-3H-1,3,4-oxadiazole-2-thione

C17H11N3OS — CID 750578

IUPAC5-(2-phenylquinolin-4-yl)-3H-1,3,4-oxadiazole-2-thione
SMILESS=c1[nH]nc(-c2cc(-c3ccccc3)nc3ccccc23)o1
InChIInChI=1S/C17H11N3OS/c22-17-20-19-16(21-17)13-10-15(11-6-2-1-3-7-11)18-14-9-5-4-8-12(13)14/h1-10H,(H,20,22)
InChIKeyXXZGUFRYZYAGSW-UHFFFAOYSA-N
MW305.36 g/mol
LogP4.61
Rot. Bonds2

About 5-(2-phenylquinolin-4-yl)-3H-1,3,4-oxadiazole-2-thione

5-(2-phenylquinolin-4-yl)-3H-1,3,4-oxadiazole-2-thione (PubChem CID 750578) has the molecular formula C17H11N3OS and a molecular weight of 305.36 g/mol. Its IUPAC name is 5-(2-phenylquinolin-4-yl)-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-(2-phenylquinolin-4-yl)-3H-1,3,4-oxadiazole-2-thione
PubChem CID750578
Molecular FormulaC17H11N3OS
Molecular Weight305.36 g/mol
Exact Mass305.06
IUPAC Name5-(2-phenylquinolin-4-yl)-3H-1,3,4-oxadiazole-2-thione
SMILESS=c1[nH]nc(-c2cc(-c3ccccc3)nc3ccccc23)o1
InChIInChI=1S/C17H11N3OS/c22-17-20-19-16(21-17)13-10-15(11-6-2-1-3-7-11)18-14-9-5-4-8-12(13)14/h1-10H,(H,20,22)
InChIKeyXXZGUFRYZYAGSW-UHFFFAOYSA-N
XLogP4.61
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(Quinolin-2-yl)-1,3,4-oxadiazole-2-thiol
CID 2029348
5-[2-(Pyridin-2-yl)quinolin-4-yl]-1,3,4-oxadiazole-2-thiol
CID 2384556
CID 15945225
CID 15945225
5-(2-butylquinolin-4-yl)-1,3,4-oxadiazole-2(3H)-thione
CID 3580168
5-(2-phenylquinolin-4-yl)-1,3,4-oxadiazol-2(3H)-one
CID 279631
3-(Anilinomethyl)-5-quinolin-2-yl-1,3,4-oxadiazole-2-thione
CID 71575241
4-(Oxiran-2-yl)-2-phenylquinoline
CID 344157
2-fluoro-8-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)-5,7-dihydroquinolino[3,2-d][1]benzazepin-6-one
CID 139229904
5-[2-(4-Methylphenyl)quinolin-4-yl]-1,3,4-oxadiazole-2-thiol
CID 2447382
5-(2-Methylquinolin-4-yl)-1,3,4-oxadiazole-2(3H)-thione
CID 28830547
O-(2,2,2-trifluoroethyl) acridine-9-carbothioate
CID 18006795
8-Fluoro-4-[(2-fluorophenyl)methoxymethyl]-2-methylquinoline
CID 172633638

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylquinolin-4-yl)-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-(2-phenylquinolin-4-yl)-3H-1,3,4-oxadiazole-2-thione (CID 750578) is 5-(2-phenylquinolin-4-yl)-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-(2-phenylquinolin-4-yl)-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-(2-phenylquinolin-4-yl)-3H-1,3,4-oxadiazole-2-thione is S=c1[nH]nc(-c2cc(-c3ccccc3)nc3ccccc23)o1.
What is the InChIKey of 5-(2-phenylquinolin-4-yl)-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is XXZGUFRYZYAGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3OS/c22-17-20-19-16(21-17)13-10-15(11-6-2-1-3-7-11)18-14-9-5-4-8-12(13)14/h1-10H,(H,20,22).
What are the key properties of 5-(2-phenylquinolin-4-yl)-3H-1,3,4-oxadiazole-2-thione?
5-(2-phenylquinolin-4-yl)-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 305.36 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylquinolin-4-yl)-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 750578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).