5-methylpyridazin-3-amine;propan-2-yl N-[4-[5-[4-bromo-2-(ethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(ethylsulfamoyl)-4-[(5-methylpyridazin-3-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate

C52H69BrN12O8S4 — CID 158006819

About 5-methylpyridazin-3-amine;propan-2-yl N-[4-[5-[4-bromo-2-(ethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(ethylsulfamoyl)-4-[(5-methylpyridazin-3-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate

5-methylpyridazin-3-amine;propan-2-yl N-[4-[5-[4-bromo-2-(ethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(ethylsulfamoyl)-4-[(5-methylpyridazin-3-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate (PubChem CID 158006819) has the molecular formula C52H69BrN12O8S4 and a molecular weight of 1198.37 g/mol. Its IUPAC name is 5-methylpyridazin-3-amine;propan-2-yl N-[4-[5-[4-bromo-2-(ethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(ethylsulfamoyl)-4-[(5-methylpyridazin-3-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate.

Molecular Properties

• Compound Name: 5-methylpyridazin-3-amine;propan-2-yl N-[4-[5-[4-bromo-2-(ethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(ethylsulfamoyl)-4-[(5-methylpyridazin-3-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
• PubChem CID: 158006819
• Molecular Formula: C52H69BrN12O8S4
• Molecular Weight: 1198.37 g/mol
• Exact Mass: 1196.34
• IUPAC Name: 5-methylpyridazin-3-amine;propan-2-yl N-[4-[5-[4-bromo-2-(ethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(ethylsulfamoyl)-4-[(5-methylpyridazin-3-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
• SMILES: CCNS(=O)(=O)c1cc(Br)ccc1-c1cnc(C2CCC(NC(=O)OC(C)C)CC2)s1.CCNS(=O)(=O)c1cc(Nc2cc(C)cnn2)ccc1-c1cnc(C2CCC(NC(=O)OC(C)C)CC2)s1.Cc1cnnc(N)c1
• InChI: InChI=1S/C26H34N6O4S2.C21H28BrN3O4S2.C5H7N3/c1-5-29-38(34,35)23-13-20(30-24-12-17(4)14-28-32-24)10-11-21(23)22-15-27-25(37-22)18-6-8-19(9-7-18)31-26(33)36-16(2)3;1-4-24-31(27,28)19-11-15(22)7-10-17(19)18-12-23-20(30-18)14-5-8-16(9-6-14)25-21(26)29-13(2)3;1-4-2-5(6)8-7-3-4/h10-16,18-19,29H,5-9H2,1-4H3,(H,30,32)(H,31,33);7,10-14,16,24H,4-6,8-9H2,1-3H3,(H,25,26);2-3H,1H3,(H2,6,8)
• InChIKey: FEJVUIPFULQCCT-UHFFFAOYSA-N
• XLogP: 10.51
• TPSA: 284.39 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1198.37
LogP ≤ 5	10.51
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 5-methylpyridazin-3-amine;propan-2-yl N-[4-[5-[4-bromo-2-(ethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(ethylsulfamoyl)-4-[(5-methylpyridazin-3-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate?

The IUPAC name of 5-methylpyridazin-3-amine;propan-2-yl N-[4-[5-[4-bromo-2-(ethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(ethylsulfamoyl)-4-[(5-methylpyridazin-3-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate (CID 158006819) is 5-methylpyridazin-3-amine;propan-2-yl N-[4-[5-[4-bromo-2-(ethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(ethylsulfamoyl)-4-[(5-methylpyridazin-3-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate.

What is the SMILES notation for 5-methylpyridazin-3-amine;propan-2-yl N-[4-[5-[4-bromo-2-(ethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(ethylsulfamoyl)-4-[(5-methylpyridazin-3-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate?

The canonical SMILES for 5-methylpyridazin-3-amine;propan-2-yl N-[4-[5-[4-bromo-2-(ethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(ethylsulfamoyl)-4-[(5-methylpyridazin-3-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate is CCNS(=O)(=O)c1cc(Br)ccc1-c1cnc(C2CCC(NC(=O)OC(C)C)CC2)s1.CCNS(=O)(=O)c1cc(Nc2cc(C)cnn2)ccc1-c1cnc(C2CCC(NC(=O)OC(C)C)CC2)s1.Cc1cnnc(N)c1.

What is the InChIKey of 5-methylpyridazin-3-amine;propan-2-yl N-[4-[5-[4-bromo-2-(ethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(ethylsulfamoyl)-4-[(5-methylpyridazin-3-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate?

The InChIKey is FEJVUIPFULQCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O4S2.C21H28BrN3O4S2.C5H7N3/c1-5-29-38(34,35)23-13-20(30-24-12-17(4)14-28-32-24)10-11-21(23)22-15-27-25(37-22)18-6-8-19(9-7-18)31-26(33)36-16(2)3;1-4-24-31(27,28)19-11-15(22)7-10-17(19)18-12-23-20(30-18)14-5-8-16(9-6-14)25-21(26)29-13(2)3;1-4-2-5(6)8-7-3-4/h10-16,18-19,29H,5-9H2,1-4H3,(H,30,32)(H,31,33);7,10-14,16,24H,4-6,8-9H2,1-3H3,(H,25,26);2-3H,1H3,(H2,6,8).

What are the key properties of 5-methylpyridazin-3-amine;propan-2-yl N-[4-[5-[4-bromo-2-(ethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(ethylsulfamoyl)-4-[(5-methylpyridazin-3-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate?

5-methylpyridazin-3-amine;propan-2-yl N-[4-[5-[4-bromo-2-(ethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(ethylsulfamoyl)-4-[(5-methylpyridazin-3-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate has a molecular weight of 1198.37 g/mol, XLogP of 10.51, 16 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methylpyridazin-3-amine;propan-2-yl N-[4-[5-[4-bromo-2-(ethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(ethylsulfamoyl)-4-[(5-methylpyridazin-3-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate is sourced from PubChem (CID 158006819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).