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

C16H10N4OS — CID 2384556

IUPAC5-(2-pyridin-2-ylquinolin-4-yl)-3H-1,3,4-oxadiazole-2-thione
SMILESS=c1[nH]nc(-c2cc(-c3ccccn3)nc3ccccc23)o1
InChIInChI=1S/C16H10N4OS/c22-16-20-19-15(21-16)11-9-14(13-7-3-4-8-17-13)18-12-6-2-1-5-10(11)12/h1-9H,(H,20,22)
InChIKeyIHOLIHFSWZBRLS-UHFFFAOYSA-N
MW306.35 g/mol
LogP4.01
Rot. Bonds2

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

5-(2-pyridin-2-ylquinolin-4-yl)-3H-1,3,4-oxadiazole-2-thione (PubChem CID 2384556) has the molecular formula C16H10N4OS and a molecular weight of 306.35 g/mol. Its IUPAC name is 5-(2-pyridin-2-ylquinolin-4-yl)-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-(2-pyridin-2-ylquinolin-4-yl)-3H-1,3,4-oxadiazole-2-thione
PubChem CID2384556
Molecular FormulaC16H10N4OS
Molecular Weight306.35 g/mol
Exact Mass306.06
IUPAC Name5-(2-pyridin-2-ylquinolin-4-yl)-3H-1,3,4-oxadiazole-2-thione
SMILESS=c1[nH]nc(-c2cc(-c3ccccn3)nc3ccccc23)o1
InChIInChI=1S/C16H10N4OS/c22-16-20-19-15(21-16)11-9-14(13-7-3-4-8-17-13)18-12-6-2-1-5-10(11)12/h1-9H,(H,20,22)
InChIKeyIHOLIHFSWZBRLS-UHFFFAOYSA-N
XLogP4.01
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(2-butylquinolin-4-yl)-1,3,4-oxadiazole-2(3H)-thione
CID 3580168
5-(2-Phenyl-4-quinolyl)-1,3,4-oxadiazole-2-thiol
CID 750578
5-[2-Amino-5-(Quinolin-3-Yl)pyridin-3-Yl]-1,3,4-Oxadiazole-2(3h)-Thione
CID 91754592
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
3-fluoro-2-[4-[(4-pyridin-4-yl-1H-pyrazol-1-ium-3-yl)oxymethyl]phenyl]quinoline
CID 144450377
5-(2-Amino-5-quinolin-3-yl-3-pyridinyl)-1,3,4-oxadiazolidine-2-thione
CID 91754591
5-(1-benzylindol-3-yl)-3H-1,3,4-oxadiazole-2-thione
CID 86002436
5-(3-methyl-2-phenylquinolin-4-yl)-3H-1,3,4-oxadiazole-2-thione
CID 139234729
5-[3-methyl-2-(4-methylphenyl)quinolin-4-yl]-3H-1,3,4-oxadiazole-2-thione
CID 139234730
5-(6-Bromoquinolin-3-yl)-1,3,4-oxadiazole-2-thiol
CID 166606754
5-(2-Pyridin-2-ylquinolin-4-yl)-3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole-2-thione
CID 46799336

Frequently Asked Questions

What is the IUPAC name of 5-(2-pyridin-2-ylquinolin-4-yl)-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-(2-pyridin-2-ylquinolin-4-yl)-3H-1,3,4-oxadiazole-2-thione (CID 2384556) is 5-(2-pyridin-2-ylquinolin-4-yl)-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-(2-pyridin-2-ylquinolin-4-yl)-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-(2-pyridin-2-ylquinolin-4-yl)-3H-1,3,4-oxadiazole-2-thione is S=c1[nH]nc(-c2cc(-c3ccccn3)nc3ccccc23)o1.
What is the InChIKey of 5-(2-pyridin-2-ylquinolin-4-yl)-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is IHOLIHFSWZBRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4OS/c22-16-20-19-15(21-16)11-9-14(13-7-3-4-8-17-13)18-12-6-2-1-5-10(11)12/h1-9H,(H,20,22).
What are the key properties of 5-(2-pyridin-2-ylquinolin-4-yl)-3H-1,3,4-oxadiazole-2-thione?
5-(2-pyridin-2-ylquinolin-4-yl)-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 306.35 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pyridin-2-ylquinolin-4-yl)-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 2384556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).