5-(4-fluorophenyl)-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,2,4-oxadiazole

C17H10FN5OS2 — CID 37327983

IUPAC5-(4-fluorophenyl)-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2nc(CSc3nnc4sc5ccccc5n34)no2)cc1
InChIInChI=1S/C17H10FN5OS2/c18-11-7-5-10(6-8-11)15-19-14(22-24-15)9-25-16-20-21-17-23(16)12-3-1-2-4-13(12)26-17/h1-8H,9H2
InChIKeyRUYHKWWOMJFNBV-UHFFFAOYSA-N
MW383.43 g/mol
LogP4.43
Rot. Bonds4

About 5-(4-fluorophenyl)-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,2,4-oxadiazole

5-(4-fluorophenyl)-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,2,4-oxadiazole (PubChem CID 37327983) has the molecular formula C17H10FN5OS2 and a molecular weight of 383.43 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,2,4-oxadiazole
PubChem CID37327983
Molecular FormulaC17H10FN5OS2
Molecular Weight383.43 g/mol
Exact Mass383.03
IUPAC Name5-(4-fluorophenyl)-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2nc(CSc3nnc4sc5ccccc5n34)no2)cc1
InChIInChI=1S/C17H10FN5OS2/c18-11-7-5-10(6-8-11)15-19-14(22-24-15)9-25-16-20-21-17-23(16)12-3-1-2-4-13(12)26-17/h1-8H,9H2
InChIKeyRUYHKWWOMJFNBV-UHFFFAOYSA-N
XLogP4.43
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-fluorophenyl)-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,2,4-oxadiazole (CID 37327983) is 5-(4-fluorophenyl)-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-fluorophenyl)-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-fluorophenyl)-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,2,4-oxadiazole is Fc1ccc(-c2nc(CSc3nnc4sc5ccccc5n34)no2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,2,4-oxadiazole?
The InChIKey is RUYHKWWOMJFNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FN5OS2/c18-11-7-5-10(6-8-11)15-19-14(22-24-15)9-25-16-20-21-17-23(16)12-3-1-2-4-13(12)26-17/h1-8H,9H2.
What are the key properties of 5-(4-fluorophenyl)-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,2,4-oxadiazole?
5-(4-fluorophenyl)-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,2,4-oxadiazole has a molecular weight of 383.43 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 37327983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).