2-(1H-indazol-6-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole

C15H11N5OS — CID 118267192

IUPAC2-(1H-indazol-6-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESc1cc(-c2nnc(SCc3ccc4cn[nH]c4c3)o2)ccn1
InChIInChI=1S/C15H11N5OS/c1-2-12-8-17-18-13(12)7-10(1)9-22-15-20-19-14(21-15)11-3-5-16-6-4-11/h1-8H,9H2,(H,17,18)
InChIKeyJFKBORPCUDTVET-UHFFFAOYSA-N
MW309.35 g/mol
LogP3.30
Rot. Bonds4

About 2-(1H-indazol-6-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole

2-(1H-indazol-6-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 118267192) has the molecular formula C15H11N5OS and a molecular weight of 309.35 g/mol. Its IUPAC name is 2-(1H-indazol-6-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1H-indazol-6-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID118267192
Molecular FormulaC15H11N5OS
Molecular Weight309.35 g/mol
Exact Mass309.07
IUPAC Name2-(1H-indazol-6-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESc1cc(-c2nnc(SCc3ccc4cn[nH]c4c3)o2)ccn1
InChIInChI=1S/C15H11N5OS/c1-2-12-8-17-18-13(12)7-10(1)9-22-15-20-19-14(21-15)11-3-5-16-6-4-11/h1-8H,9H2,(H,17,18)
InChIKeyJFKBORPCUDTVET-UHFFFAOYSA-N
XLogP3.30
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-bromothiophen-3-yl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 78885285
2-(1H-indazol-5-yl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 68663687
2-[(3-phenylphenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 71212253
3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzoate
CID 6957488
2-(4-fluorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 1168111
4-[5-(pyridin-4-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]benzenecarbothioamide
CID 1459183
2-[[4-(3-nitrophenyl)phenyl]methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 71212308
2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 30398927
2-[(4-fluorophenyl)methylsulfanyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 750581
2-[(4-fluorophenyl)methylsulfanyl]-5-(4-iodophenyl)-1,3,4-oxadiazole
CID 19060788
2-[(4-bromophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 717082
2-(4-methoxyphenyl)-5-[(4-methylsulfanylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 2579534

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-6-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(1H-indazol-6-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole (CID 118267192) is 2-(1H-indazol-6-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1H-indazol-6-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(1H-indazol-6-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole is c1cc(-c2nnc(SCc3ccc4cn[nH]c4c3)o2)ccn1.
What is the InChIKey of 2-(1H-indazol-6-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is JFKBORPCUDTVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5OS/c1-2-12-8-17-18-13(12)7-10(1)9-22-15-20-19-14(21-15)11-3-5-16-6-4-11/h1-8H,9H2,(H,17,18).
What are the key properties of 2-(1H-indazol-6-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
2-(1H-indazol-6-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 309.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-6-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 118267192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).