2-pyridin-3-yl-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole

C13H10N4OS — CID 18586774

IUPAC2-pyridin-3-yl-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole
SMILESc1ccc(CSc2nnc(-c3cccnc3)o2)nc1
InChIInChI=1S/C13H10N4OS/c1-2-7-15-11(5-1)9-19-13-17-16-12(18-13)10-4-3-6-14-8-10/h1-8H,9H2
InChIKeyKAOGNIOYYOZPGR-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.82
Rot. Bonds4

About 2-pyridin-3-yl-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole

2-pyridin-3-yl-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole (PubChem CID 18586774) has the molecular formula C13H10N4OS and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-pyridin-3-yl-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-pyridin-3-yl-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole
PubChem CID18586774
Molecular FormulaC13H10N4OS
Molecular Weight270.32 g/mol
Exact Mass270.06
IUPAC Name2-pyridin-3-yl-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole
SMILESc1ccc(CSc2nnc(-c3cccnc3)o2)nc1
InChIInChI=1S/C13H10N4OS/c1-2-7-15-11(5-1)9-19-13-17-16-12(18-13)10-4-3-6-14-8-10/h1-8H,9H2
InChIKeyKAOGNIOYYOZPGR-UHFFFAOYSA-N
XLogP2.82
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Pyridine, 4-[5-[(phenylmethyl)thio]-1,3,4-oxadiazol-2-yl]-
CID 805390
GSK-3 Inhibitor II
CID 6539732
2-[(4-Nitrophenyl)methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 779799
4-{5-[(4-Fluorobenzyl)thio]-1,3,4-oxadiazol-2-yl}pyridine
CID 975378
4-(5-{[(3-Fluorophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)pyridine
CID 6539734
1-Piperidin-1-yl-2-(5-pyridin-3-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-ethanone
CID 1071908
N-cyclopentyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 16298011
N-(4-methylcyclohexyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 16303439
3-[5-(3-Phenyl-allylsulfanyl)-[1,3,4]oxadiazol-2-yl]-pyridine
CID 1581526
3-[5-(Prop-2-en-1-ylsulfanyl)-1,3,4-oxadiazol-2-yl]pyridine
CID 4920344
3-(5-Thiophen-2-yl-[1,3,4]oxadiazol-2-yl)-pyridine
CID 655156
2-[(4-Bromophenyl)methylthio]-5-(3-pyridinyl)-1,3,4-oxadiazole
CID 758305

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole?
The IUPAC name of 2-pyridin-3-yl-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole (CID 18586774) is 2-pyridin-3-yl-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-pyridin-3-yl-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-pyridin-3-yl-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole is c1ccc(CSc2nnc(-c3cccnc3)o2)nc1.
What is the InChIKey of 2-pyridin-3-yl-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole?
The InChIKey is KAOGNIOYYOZPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4OS/c1-2-7-15-11(5-1)9-19-13-17-16-12(18-13)10-4-3-6-14-8-10/h1-8H,9H2.
What are the key properties of 2-pyridin-3-yl-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole?
2-pyridin-3-yl-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole has a molecular weight of 270.32 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole is sourced from PubChem (CID 18586774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).