4-tert-butyl-N-[6-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]benzamide

C26H23N5OS2 — CID 59175271

About 4-tert-butyl-N-[6-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]benzamide

4-tert-butyl-N-[6-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]benzamide (PubChem CID 59175271) has the molecular formula C26H23N5OS2 and a molecular weight of 485.64 g/mol. Its IUPAC name is 4-tert-butyl-N-[6-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-tert-butyl-N-[6-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]benzamide
• PubChem CID: 59175271
• Molecular Formula: C26H23N5OS2
• Molecular Weight: 485.64 g/mol
• Exact Mass: 485.13
• IUPAC Name: 4-tert-butyl-N-[6-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]benzamide
• SMILES: CC(C)(C)c1ccc(C(=O)Nc2cn3nc(Sc4nc(-c5ccccc5)cs4)ccc3n2)cc1
• InChI: InChI=1S/C26H23N5OS2/c1-26(2,3)19-11-9-18(10-12-19)24(32)29-21-15-31-22(28-21)13-14-23(30-31)34-25-27-20(16-33-25)17-7-5-4-6-8-17/h4-16H,1-3H3,(H,29,32)
• InChIKey: ZRPWBRNPGARQJW-UHFFFAOYSA-N
• XLogP: 6.55
• TPSA: 72.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.64
LogP ≤ 5	6.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[6-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]benzamide?

The IUPAC name of 4-tert-butyl-N-[6-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]benzamide (CID 59175271) is 4-tert-butyl-N-[6-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]benzamide.

What is the SMILES notation for 4-tert-butyl-N-[6-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]benzamide?

The canonical SMILES for 4-tert-butyl-N-[6-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2cn3nc(Sc4nc(-c5ccccc5)cs4)ccc3n2)cc1.

What is the InChIKey of 4-tert-butyl-N-[6-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]benzamide?

The InChIKey is ZRPWBRNPGARQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5OS2/c1-26(2,3)19-11-9-18(10-12-19)24(32)29-21-15-31-22(28-21)13-14-23(30-31)34-25-27-20(16-33-25)17-7-5-4-6-8-17/h4-16H,1-3H3,(H,29,32).

What are the key properties of 4-tert-butyl-N-[6-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]benzamide?

4-tert-butyl-N-[6-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]benzamide has a molecular weight of 485.64 g/mol, XLogP of 6.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-N-[6-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]benzamide is sourced from PubChem (CID 59175271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).