2-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole

C15H15F3N6S — CID 155974842

IUPAC2-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1cn2nc(N3CCN(c4nc(C(F)(F)F)cs4)CC3)ccc2n1
InChIInChI=1S/C15H15F3N6S/c1-10-8-24-12(19-10)2-3-13(21-24)22-4-6-23(7-5-22)14-20-11(9-25-14)15(16,17)18/h2-3,8-9H,4-7H2,1H3
InChIKeyUBPCRIVDQFRAMK-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.84
Rot. Bonds2

About 2-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole

2-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 155974842) has the molecular formula C15H15F3N6S and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID155974842
Molecular FormulaC15H15F3N6S
Molecular Weight368.39 g/mol
Exact Mass368.10
IUPAC Name2-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1cn2nc(N3CCN(c4nc(C(F)(F)F)cs4)CC3)ccc2n1
InChIInChI=1S/C15H15F3N6S/c1-10-8-24-12(19-10)2-3-13(21-24)22-4-6-23(7-5-22)14-20-11(9-25-14)15(16,17)18/h2-3,8-9H,4-7H2,1H3
InChIKeyUBPCRIVDQFRAMK-UHFFFAOYSA-N
XLogP2.84
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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
5-[6-[4-(Trifluoromethyl)pyrimidin-2-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole
CID 71579008
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-5-[[3-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 53568125
2-Methyl-4-[[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methyl]-1,3-thiazole
CID 17492731
2-[4-(Tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]-1,3-thiazole
CID 24590333
2-methyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]imidazo[1,2-b]pyridazin-6-amine
CID 164633260
6-[4-(1,3-Thiazol-4-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 67340793
6-[4-(1,3-Thiazol-2-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 67341534
4-Fluoro-8-(4-methylpiperazin-1-yl)-5-thia-1,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 140568493
4-Fluoro-8-(4-methylpiperazin-1-yl)-5-thia-1,7,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 140568506
4-Fluoro-8-piperazin-1-yl-5-thia-1,7,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 140568509

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole (CID 155974842) is 2-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole is Cc1cn2nc(N3CCN(c4nc(C(F)(F)F)cs4)CC3)ccc2n1.
What is the InChIKey of 2-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is UBPCRIVDQFRAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N6S/c1-10-8-24-12(19-10)2-3-13(21-24)22-4-6-23(7-5-22)14-20-11(9-25-14)15(16,17)18/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 2-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
2-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 368.39 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 155974842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).