tert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

C24H24FN5O2S — CID 153383337

About tert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 153383337) has the molecular formula C24H24FN5O2S and a molecular weight of 465.55 g/mol. Its IUPAC name is tert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
• PubChem CID: 153383337
• Molecular Formula: C24H24FN5O2S
• Molecular Weight: 465.55 g/mol
• Exact Mass: 465.16
• IUPAC Name: tert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
• SMILES: Cc1cn2nc(-c3cc(F)c4nc(C5=CCN(C(=O)OC(C)(C)C)CC5)sc4c3)ccc2n1
• InChI: InChI=1S/C24H24FN5O2S/c1-14-13-30-20(26-14)6-5-18(28-30)16-11-17(25)21-19(12-16)33-22(27-21)15-7-9-29(10-8-15)23(31)32-24(2,3)4/h5-7,11-13H,8-10H2,1-4H3
• InChIKey: WXSMRBLIAAHQJU-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 72.62 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.55
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?

The IUPAC name of tert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 153383337) is tert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is Cc1cn2nc(-c3cc(F)c4nc(C5=CCN(C(=O)OC(C)(C)C)CC5)sc4c3)ccc2n1.

What is the InChIKey of tert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?

The InChIKey is WXSMRBLIAAHQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2S/c1-14-13-30-20(26-14)6-5-18(28-30)16-11-17(25)21-19(12-16)33-22(27-21)15-7-9-29(10-8-15)23(31)32-24(2,3)4/h5-7,11-13H,8-10H2,1-4H3.

What are the key properties of tert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?

tert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 465.55 g/mol, XLogP of 5.48, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 153383337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).