5-[6-[3-(trifluoromethoxy)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole

C15H8F3N5OS2 — CID 71578932

IUPAC5-[6-[3-(trifluoromethoxy)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole
SMILESFC(F)(F)Oc1cccc(Sc2ccc3nnc(-c4cncs4)n3n2)c1
InChIInChI=1S/C15H8F3N5OS2/c16-15(17,18)24-9-2-1-3-10(6-9)26-13-5-4-12-20-21-14(23(12)22-13)11-7-19-8-25-11/h1-8H
InChIKeyOJGVJKYLJQAYDC-UHFFFAOYSA-N
MW395.39 g/mol
LogP4.30
Rot. Bonds4

About 5-[6-[3-(trifluoromethoxy)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole

5-[6-[3-(trifluoromethoxy)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole (PubChem CID 71578932) has the molecular formula C15H8F3N5OS2 and a molecular weight of 395.39 g/mol. Its IUPAC name is 5-[6-[3-(trifluoromethoxy)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-[6-[3-(trifluoromethoxy)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole
PubChem CID71578932
Molecular FormulaC15H8F3N5OS2
Molecular Weight395.39 g/mol
Exact Mass395.01
IUPAC Name5-[6-[3-(trifluoromethoxy)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole
SMILESFC(F)(F)Oc1cccc(Sc2ccc3nnc(-c4cncs4)n3n2)c1
InChIInChI=1S/C15H8F3N5OS2/c16-15(17,18)24-9-2-1-3-10(6-9)26-13-5-4-12-20-21-14(23(12)22-13)11-7-19-8-25-11/h1-8H
InChIKeyOJGVJKYLJQAYDC-UHFFFAOYSA-N
XLogP4.30
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[6-[3-(trifluoromethoxy)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole with MolForge

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Related Compounds

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CID 118711390
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CID 118711411
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CID 117769357
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CID 123409624

Frequently Asked Questions

What is the IUPAC name of 5-[6-[3-(trifluoromethoxy)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole?
The IUPAC name of 5-[6-[3-(trifluoromethoxy)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole (CID 71578932) is 5-[6-[3-(trifluoromethoxy)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole.
What is the SMILES notation for 5-[6-[3-(trifluoromethoxy)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole?
The canonical SMILES for 5-[6-[3-(trifluoromethoxy)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole is FC(F)(F)Oc1cccc(Sc2ccc3nnc(-c4cncs4)n3n2)c1.
What is the InChIKey of 5-[6-[3-(trifluoromethoxy)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole?
The InChIKey is OJGVJKYLJQAYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3N5OS2/c16-15(17,18)24-9-2-1-3-10(6-9)26-13-5-4-12-20-21-14(23(12)22-13)11-7-19-8-25-11/h1-8H.
What are the key properties of 5-[6-[3-(trifluoromethoxy)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole?
5-[6-[3-(trifluoromethoxy)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole has a molecular weight of 395.39 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[3-(trifluoromethoxy)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole is sourced from PubChem (CID 71578932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).