N-(thian-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine

C19H19F3N4OS — CID 66598066

IUPACN-(thian-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
SMILESFC(F)(F)Oc1cccc(-c2cnc3ccc(NCC4CCSCC4)nn23)c1
InChIInChI=1S/C19H19F3N4OS/c20-19(21,22)27-15-3-1-2-14(10-15)16-12-24-18-5-4-17(25-26(16)18)23-11-13-6-8-28-9-7-13/h1-5,10,12-13H,6-9,11H2,(H,23,25)
InChIKeyUDNLNKGTGCEELU-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.85
Rot. Bonds5

About N-(thian-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine

N-(thian-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 66598066) has the molecular formula C19H19F3N4OS and a molecular weight of 408.45 g/mol. Its IUPAC name is N-(thian-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(thian-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID66598066
Molecular FormulaC19H19F3N4OS
Molecular Weight408.45 g/mol
Exact Mass408.12
IUPAC NameN-(thian-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
SMILESFC(F)(F)Oc1cccc(-c2cnc3ccc(NCC4CCSCC4)nn23)c1
InChIInChI=1S/C19H19F3N4OS/c20-19(21,22)27-15-3-1-2-14(10-15)16-12-24-18-5-4-17(25-26(16)18)23-11-13-6-8-28-9-7-13/h1-5,10,12-13H,6-9,11H2,(H,23,25)
InChIKeyUDNLNKGTGCEELU-UHFFFAOYSA-N
XLogP4.85
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(thian-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine 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 N-(thian-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-(thian-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine (CID 66598066) is N-(thian-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-(thian-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-(thian-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine is FC(F)(F)Oc1cccc(-c2cnc3ccc(NCC4CCSCC4)nn23)c1.
What is the InChIKey of N-(thian-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is UDNLNKGTGCEELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4OS/c20-19(21,22)27-15-3-1-2-14(10-15)16-12-24-18-5-4-17(25-26(16)18)23-11-13-6-8-28-9-7-13/h1-5,10,12-13H,6-9,11H2,(H,23,25).
What are the key properties of N-(thian-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
N-(thian-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 408.45 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thian-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 66598066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).