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

C26H23N5OS2 — CID 59175271

IUPAC4-tert-butyl-N-[6-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cn3nc(Sc4nc(-c5ccccc5)cs4)ccc3n2)cc1
InChIInChI=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)
InChIKeyZRPWBRNPGARQJW-UHFFFAOYSA-N
MW485.64 g/mol
LogP6.55
Rot. Bonds5

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 Name4-tert-butyl-N-[6-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]benzamide
PubChem CID59175271
Molecular FormulaC26H23N5OS2
Molecular Weight485.64 g/mol
Exact Mass485.13
IUPAC Name4-tert-butyl-N-[6-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cn3nc(Sc4nc(-c5ccccc5)cs4)ccc3n2)cc1
InChIInChI=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)
InChIKeyZRPWBRNPGARQJW-UHFFFAOYSA-N
XLogP6.55
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.64
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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).