5-(2-amino-5-quinolin-3-yl-3-pyridinyl)-1,3,4-oxadiazolidine-2-thione

C16H13N5OS — CID 91754591

IUPAC5-(2-amino-5-quinolin-3-yl-3-pyridinyl)-1,3,4-oxadiazolidine-2-thione
SMILESNc1ncc(-c2cnc3ccccc3c2)cc1C1NNC(=S)O1
InChIInChI=1S/C16H13N5OS/c17-14-12(15-20-21-16(23)22-15)6-11(8-19-14)10-5-9-3-1-2-4-13(9)18-7-10/h1-8,15,20H,(H2,17,19)(H,21,23)
InChIKeyJKVAXHDMNWTDAD-UHFFFAOYSA-N
MW323.38 g/mol
LogP2.29
Rot. Bonds2

About 5-(2-amino-5-quinolin-3-yl-3-pyridinyl)-1,3,4-oxadiazolidine-2-thione

5-(2-amino-5-quinolin-3-yl-3-pyridinyl)-1,3,4-oxadiazolidine-2-thione (PubChem CID 91754591) has the molecular formula C16H13N5OS and a molecular weight of 323.38 g/mol. Its IUPAC name is 5-(2-amino-5-quinolin-3-yl-3-pyridinyl)-1,3,4-oxadiazolidine-2-thione.

Molecular Properties

Compound Name5-(2-amino-5-quinolin-3-yl-3-pyridinyl)-1,3,4-oxadiazolidine-2-thione
PubChem CID91754591
Molecular FormulaC16H13N5OS
Molecular Weight323.38 g/mol
Exact Mass323.08
IUPAC Name5-(2-amino-5-quinolin-3-yl-3-pyridinyl)-1,3,4-oxadiazolidine-2-thione
SMILESNc1ncc(-c2cnc3ccccc3c2)cc1C1NNC(=S)O1
InChIInChI=1S/C16H13N5OS/c17-14-12(15-20-21-16(23)22-15)6-11(8-19-14)10-5-9-3-1-2-4-13(9)18-7-10/h1-8,15,20H,(H2,17,19)(H,21,23)
InChIKeyJKVAXHDMNWTDAD-UHFFFAOYSA-N
XLogP2.29
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(2-amino-5-quinolin-3-yl-3-pyridinyl)-1,3,4-oxadiazolidine-2-thione with MolForge

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Related Compounds

5-[2-(Pyridin-2-yl)quinolin-4-yl]-1,3,4-oxadiazole-2-thiol
CID 2384556
5-[2-Amino-5-(Quinolin-3-Yl)pyridin-3-Yl]-1,3,4-Oxadiazole-2(3h)-Thione
CID 91754592
2-(Ethoxymethyl)benzo[f][1,7]naphthyridin-5-amine
CID 58213673
2-(1-Ethoxyethenyl)benzo[f][1,7]naphthyridin-5-amine
CID 118102887
6-[2-(1-Quinolin-3-ylethoxy)ethyl]pyridin-2-amine
CID 173208252
2-amino-4-(1H-indol-3-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 168469082

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-5-quinolin-3-yl-3-pyridinyl)-1,3,4-oxadiazolidine-2-thione?
The IUPAC name of 5-(2-amino-5-quinolin-3-yl-3-pyridinyl)-1,3,4-oxadiazolidine-2-thione (CID 91754591) is 5-(2-amino-5-quinolin-3-yl-3-pyridinyl)-1,3,4-oxadiazolidine-2-thione.
What is the SMILES notation for 5-(2-amino-5-quinolin-3-yl-3-pyridinyl)-1,3,4-oxadiazolidine-2-thione?
The canonical SMILES for 5-(2-amino-5-quinolin-3-yl-3-pyridinyl)-1,3,4-oxadiazolidine-2-thione is Nc1ncc(-c2cnc3ccccc3c2)cc1C1NNC(=S)O1.
What is the InChIKey of 5-(2-amino-5-quinolin-3-yl-3-pyridinyl)-1,3,4-oxadiazolidine-2-thione?
The InChIKey is JKVAXHDMNWTDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5OS/c17-14-12(15-20-21-16(23)22-15)6-11(8-19-14)10-5-9-3-1-2-4-13(9)18-7-10/h1-8,15,20H,(H2,17,19)(H,21,23).
What are the key properties of 5-(2-amino-5-quinolin-3-yl-3-pyridinyl)-1,3,4-oxadiazolidine-2-thione?
5-(2-amino-5-quinolin-3-yl-3-pyridinyl)-1,3,4-oxadiazolidine-2-thione has a molecular weight of 323.38 g/mol, XLogP of 2.29, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-5-quinolin-3-yl-3-pyridinyl)-1,3,4-oxadiazolidine-2-thione is sourced from PubChem (CID 91754591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).