5-[2-[(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]phenyl]-1,3-benzothiazole

C18H10ClN5OS — CID 71542997

IUPAC5-[2-[(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]phenyl]-1,3-benzothiazole
SMILESClc1nnc2ccc(Oc3ccccc3-c3ccc4scnc4c3)nn12
InChIInChI=1S/C18H10ClN5OS/c19-18-22-21-16-7-8-17(23-24(16)18)25-14-4-2-1-3-12(14)11-5-6-15-13(9-11)20-10-26-15/h1-10H
InChIKeyUXHFAAUPLIBOBI-UHFFFAOYSA-N
MW379.83 g/mol
LogP4.85
Rot. Bonds3

About 5-[2-[(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]phenyl]-1,3-benzothiazole

5-[2-[(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]phenyl]-1,3-benzothiazole (PubChem CID 71542997) has the molecular formula C18H10ClN5OS and a molecular weight of 379.83 g/mol. Its IUPAC name is 5-[2-[(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]phenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name5-[2-[(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]phenyl]-1,3-benzothiazole
PubChem CID71542997
Molecular FormulaC18H10ClN5OS
Molecular Weight379.83 g/mol
Exact Mass379.03
IUPAC Name5-[2-[(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]phenyl]-1,3-benzothiazole
SMILESClc1nnc2ccc(Oc3ccccc3-c3ccc4scnc4c3)nn12
InChIInChI=1S/C18H10ClN5OS/c19-18-22-21-16-7-8-17(23-24(16)18)25-14-4-2-1-3-12(14)11-5-6-15-13(9-11)20-10-26-15/h1-10H
InChIKeyUXHFAAUPLIBOBI-UHFFFAOYSA-N
XLogP4.85
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.83
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]phenyl]-1,3-benzothiazole?
The IUPAC name of 5-[2-[(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]phenyl]-1,3-benzothiazole (CID 71542997) is 5-[2-[(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]phenyl]-1,3-benzothiazole.
What is the SMILES notation for 5-[2-[(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]phenyl]-1,3-benzothiazole?
The canonical SMILES for 5-[2-[(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]phenyl]-1,3-benzothiazole is Clc1nnc2ccc(Oc3ccccc3-c3ccc4scnc4c3)nn12.
What is the InChIKey of 5-[2-[(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]phenyl]-1,3-benzothiazole?
The InChIKey is UXHFAAUPLIBOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClN5OS/c19-18-22-21-16-7-8-17(23-24(16)18)25-14-4-2-1-3-12(14)11-5-6-15-13(9-11)20-10-26-15/h1-10H.
What are the key properties of 5-[2-[(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]phenyl]-1,3-benzothiazole?
5-[2-[(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]phenyl]-1,3-benzothiazole has a molecular weight of 379.83 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]phenyl]-1,3-benzothiazole is sourced from PubChem (CID 71542997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).