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

C14H8ClF3N4OS — CID 17440766

IUPAC5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESFC(F)(F)c1cnc(SCc2nc(-c3cccnc3)no2)c(Cl)c1
InChIInChI=1S/C14H8ClF3N4OS/c15-10-4-9(14(16,17)18)6-20-13(10)24-7-11-21-12(22-23-11)8-2-1-3-19-5-8/h1-6H,7H2
InChIKeyHWPFAGDFDQVOSF-UHFFFAOYSA-N
MW372.76 g/mol
LogP4.49
Rot. Bonds4

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

5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 17440766) has the molecular formula C14H8ClF3N4OS and a molecular weight of 372.76 g/mol. Its IUPAC name is 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID17440766
Molecular FormulaC14H8ClF3N4OS
Molecular Weight372.76 g/mol
Exact Mass372.01
IUPAC Name5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESFC(F)(F)c1cnc(SCc2nc(-c3cccnc3)no2)c(Cl)c1
InChIInChI=1S/C14H8ClF3N4OS/c15-10-4-9(14(16,17)18)6-20-13(10)24-7-11-21-12(22-23-11)8-2-1-3-19-5-8/h1-6H,7H2
InChIKeyHWPFAGDFDQVOSF-UHFFFAOYSA-N
XLogP4.49
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.76
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-3-pyridin-3-yl-1,2,4-oxadiazole (CID 17440766) is 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-3-pyridin-3-yl-1,2,4-oxadiazole is FC(F)(F)c1cnc(SCc2nc(-c3cccnc3)no2)c(Cl)c1.
What is the InChIKey of 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is HWPFAGDFDQVOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N4OS/c15-10-4-9(14(16,17)18)6-20-13(10)24-7-11-21-12(22-23-11)8-2-1-3-19-5-8/h1-6H,7H2.
What are the key properties of 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 372.76 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 17440766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).