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

C15H7ClF3N5OS — CID 89479761

IUPAC2-[2-[(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]-4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESFC(F)(F)c1ccc(-c2nccs2)c(Oc2ccc3nnc(Cl)n3n2)c1
InChIInChI=1S/C15H7ClF3N5OS/c16-14-22-21-11-3-4-12(23-24(11)14)25-10-7-8(15(17,18)19)1-2-9(10)13-20-5-6-26-13/h1-7H
InChIKeyUEYIMAPXDRAGPO-UHFFFAOYSA-N
MW397.77 g/mol
LogP4.71
Rot. Bonds3

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

2-[2-[(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]-4-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 89479761) has the molecular formula C15H7ClF3N5OS and a molecular weight of 397.77 g/mol. Its IUPAC name is 2-[2-[(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]-4-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-[(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]-4-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID89479761
Molecular FormulaC15H7ClF3N5OS
Molecular Weight397.77 g/mol
Exact Mass397.00
IUPAC Name2-[2-[(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]-4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESFC(F)(F)c1ccc(-c2nccs2)c(Oc2ccc3nnc(Cl)n3n2)c1
InChIInChI=1S/C15H7ClF3N5OS/c16-14-22-21-11-3-4-12(23-24(11)14)25-10-7-8(15(17,18)19)1-2-9(10)13-20-5-6-26-13/h1-7H
InChIKeyUEYIMAPXDRAGPO-UHFFFAOYSA-N
XLogP4.71
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.77
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2-[(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]-4-(trifluoromethyl)phenyl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]-4-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 2-[2-[(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]-4-(trifluoromethyl)phenyl]-1,3-thiazole (CID 89479761) is 2-[2-[(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]-4-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-[2-[(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]-4-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 2-[2-[(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]-4-(trifluoromethyl)phenyl]-1,3-thiazole is FC(F)(F)c1ccc(-c2nccs2)c(Oc2ccc3nnc(Cl)n3n2)c1.
What is the InChIKey of 2-[2-[(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]-4-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is UEYIMAPXDRAGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClF3N5OS/c16-14-22-21-11-3-4-12(23-24(11)14)25-10-7-8(15(17,18)19)1-2-9(10)13-20-5-6-26-13/h1-7H.
What are the key properties of 2-[2-[(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]-4-(trifluoromethyl)phenyl]-1,3-thiazole?
2-[2-[(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]-4-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 397.77 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]-4-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 89479761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).