3-(difluoromethyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C15H15F2N7S — CID 75399083

IUPAC3-(difluoromethyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1cn2c(CN(C)c3ccc4nnc(C(F)F)n4n3)c(C)nc2s1
InChIInChI=1S/C15H15F2N7S/c1-8-6-23-10(9(2)18-15(23)25-8)7-22(3)12-5-4-11-19-20-14(13(16)17)24(11)21-12/h4-6,13H,7H2,1-3H3
InChIKeyLBLSVRWFSUOYLC-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.02
Rot. Bonds4

About 3-(difluoromethyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

3-(difluoromethyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 75399083) has the molecular formula C15H15F2N7S and a molecular weight of 363.40 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID75399083
Molecular FormulaC15H15F2N7S
Molecular Weight363.40 g/mol
Exact Mass363.11
IUPAC Name3-(difluoromethyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1cn2c(CN(C)c3ccc4nnc(C(F)F)n4n3)c(C)nc2s1
InChIInChI=1S/C15H15F2N7S/c1-8-6-23-10(9(2)18-15(23)25-8)7-22(3)12-5-4-11-19-20-14(13(16)17)24(11)21-12/h4-6,13H,7H2,1-3H3
InChIKeyLBLSVRWFSUOYLC-UHFFFAOYSA-N
XLogP3.02
TPSA63.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(difluoromethyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

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Related Compounds

2-[7-(5,8-Dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)imidazo[1,2-a]pyrimidin-2-yl]-1,3-thiazole
CID 118525795
6-([1,2,4]Triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole
CID 3000037
US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiazol-5-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 53250655
US9096589, 8-Fluoro-2-[(E)-2-(1-methyl-4-thiazol-5-yl-1H-imidazol-2-yl)-vinyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53252248
US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiazol-4-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 67257519
2-methyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]imidazo[1,2-b]pyridazin-6-amine
CID 164633260
5-[2-[2-(8-Fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole
CID 67258711
N-[3-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-5-(fluoromethyl)-1,3-thiazol-2-amine
CID 89361668
2-(6-Chloroimidazo[1,2-b]pyridazin-3-yl)-5-(trifluoromethyl)-1,3-thiazole
CID 168873698
6-(1-Methylimidazol-2-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 35871272
N-methyl-1-[6-[3-(trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 61631550
[6-[3-(Trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 61631794

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-(difluoromethyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 75399083) is 3-(difluoromethyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-(difluoromethyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-(difluoromethyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Cc1cn2c(CN(C)c3ccc4nnc(C(F)F)n4n3)c(C)nc2s1.
What is the InChIKey of 3-(difluoromethyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is LBLSVRWFSUOYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N7S/c1-8-6-23-10(9(2)18-15(23)25-8)7-22(3)12-5-4-11-19-20-14(13(16)17)24(11)21-12/h4-6,13H,7H2,1-3H3.
What are the key properties of 3-(difluoromethyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-(difluoromethyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 363.40 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 75399083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).