2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole

C13H6ClF3N4OS — CID 1476278

IUPAC2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESFC(F)(F)c1cnc(Sc2nnc(-c3ccncc3)o2)c(Cl)c1
InChIInChI=1S/C13H6ClF3N4OS/c14-9-5-8(13(15,16)17)6-19-11(9)23-12-21-20-10(22-12)7-1-3-18-4-2-7/h1-6H
InChIKeyBQOMVBRKIWCRCU-UHFFFAOYSA-N
MW358.73 g/mol
LogP4.35
Rot. Bonds3

About 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 1476278) has the molecular formula C13H6ClF3N4OS and a molecular weight of 358.73 g/mol. Its IUPAC name is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID1476278
Molecular FormulaC13H6ClF3N4OS
Molecular Weight358.73 g/mol
Exact Mass357.99
IUPAC Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESFC(F)(F)c1cnc(Sc2nnc(-c3ccncc3)o2)c(Cl)c1
InChIInChI=1S/C13H6ClF3N4OS/c14-9-5-8(13(15,16)17)6-19-11(9)23-12-21-20-10(22-12)7-1-3-18-4-2-7/h1-6H
InChIKeyBQOMVBRKIWCRCU-UHFFFAOYSA-N
XLogP4.35
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.73
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole with MolForge

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Related Compounds

2-Chlorobenzyl 5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl sulfide
CID 851256
4-(5-{[(3-Chlorophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)pyridine
CID 6539731
4-[5-[[(2-Chloro-6-fluorophenyl)methyl]thio]-1,3,4-oxadiazol-2-yl]pyridine
CID 2382787
2-[(4-Chlorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 662339
2-(3-(Piperidin-1-yl)propylthio)-5-(pyridin-4-yl)-1,3,4-oxadiazole
CID 52944348
2-[(2,4-Dichlorophenyl)methylthio]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 662619
2-[[5-(2-Chloro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone
CID 70683813
2-(3-Pyridylmethylthio)-5-(4-pyridyl)-1,3,4-oxadiazole
CID 1155327
4-{5-[(Pyridin-4-ylmethyl)thio]-1,3,4-oxadiazol-2-yl}pyridine
CID 1467926
2-Pyridin-4-yl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole
CID 7658216
2-[(6-Chloro-3-pyridinyl)methylsulfanyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 51348336
2-[(6-Chloro-3-pyridinyl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 35526113

Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole (CID 1476278) is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole is FC(F)(F)c1cnc(Sc2nnc(-c3ccncc3)o2)c(Cl)c1.
What is the InChIKey of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is BQOMVBRKIWCRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF3N4OS/c14-9-5-8(13(15,16)17)6-19-11(9)23-12-21-20-10(22-12)7-1-3-18-4-2-7/h1-6H.
What are the key properties of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 358.73 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 1476278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).