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

C14H9N7OS — CID 2466423

IUPAC2-(1-phenyltetrazol-5-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESc1ccc(-n2nnnc2Sc2nnc(-c3cccnc3)o2)cc1
InChIInChI=1S/C14H9N7OS/c1-2-6-11(7-3-1)21-13(17-19-20-21)23-14-18-16-12(22-14)10-5-4-8-15-9-10/h1-9H
InChIKeyUNSTYLJWYHPVJV-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.26
Rot. Bonds4

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

2-(1-phenyltetrazol-5-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 2466423) has the molecular formula C14H9N7OS and a molecular weight of 323.34 g/mol. Its IUPAC name is 2-(1-phenyltetrazol-5-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-phenyltetrazol-5-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID2466423
Molecular FormulaC14H9N7OS
Molecular Weight323.34 g/mol
Exact Mass323.06
IUPAC Name2-(1-phenyltetrazol-5-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESc1ccc(-n2nnnc2Sc2nnc(-c3cccnc3)o2)cc1
InChIInChI=1S/C14H9N7OS/c1-2-6-11(7-3-1)21-13(17-19-20-21)23-14-18-16-12(22-14)10-5-4-8-15-9-10/h1-9H
InChIKeyUNSTYLJWYHPVJV-UHFFFAOYSA-N
XLogP2.26
TPSA95.41 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-(1-phenyltetrazol-5-yl)sulfanyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 133462564
2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanol
CID 3219549
2-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 2210613
1-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-one
CID 975383
1-(4-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
CID 9110390
N-(2-phenylethyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7404095
2-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-4-amine
CID 116798178
N-benzyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 758301
S-(1-phenyltetrazol-5-yl)thiohydroxylamine
CID 170760951
2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 31407605
2-methyl-5-pyridin-3-yl-1,3,4-oxadiazole
CID 5052252
5-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyltetrazole
CID 1253667

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenyltetrazol-5-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(1-phenyltetrazol-5-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole (CID 2466423) is 2-(1-phenyltetrazol-5-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-phenyltetrazol-5-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-phenyltetrazol-5-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole is c1ccc(-n2nnnc2Sc2nnc(-c3cccnc3)o2)cc1.
What is the InChIKey of 2-(1-phenyltetrazol-5-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is UNSTYLJWYHPVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N7OS/c1-2-6-11(7-3-1)21-13(17-19-20-21)23-14-18-16-12(22-14)10-5-4-8-15-9-10/h1-9H.
What are the key properties of 2-(1-phenyltetrazol-5-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole?
2-(1-phenyltetrazol-5-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole has a molecular weight of 323.34 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenyltetrazol-5-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 2466423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).