6-bromopyridazin-3-amine;6-ethenylpyridazin-3-amine;bis(6-ethylpyridazin-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-[4-[(6-ethylpyridazin-3-yl)amino]-2-(ethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;prop-1-ene

C73H99Br2N21O8S4 — CID 162129670

IUPAC6-bromopyridazin-3-amine;6-ethenylpyridazin-3-amine;bis(6-ethylpyridazin-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-[4-[(6-ethylpyridazin-3-yl)amino]-2-(ethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;prop-1-ene
SMILESC=CC.C=Cc1ccc(N)nn1.CCNS(=O)(=O)c1cc(Br)ccc1-c1cnc(C2CCC(NC(=O)OC(C)C)CC2)s1.CCNS(=O)(=O)c1cc(Nc2ccc(CC)nn2)ccc1-c1cnc(C2CCC(NC(=O)OC(C)C)CC2)s1.CCc1ccc(N)nn1.CCc1ccc(N)nn1.Nc1ccc(Br)nn1
InChIInChI=1S/C27H36N6O4S2.C21H28BrN3O4S2.2C6H9N3.C6H7N3.C4H4BrN3.C3H6/c1-5-19-12-14-25(33-32-19)30-21-11-13-22(24(15-21)39(35,36)29-6-2)23-16-28-26(38-23)18-7-9-20(10-8-18)31-27(34)37-17(3)4;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;3*1-2-5-3-4-6(7)9-8-5;5-3-1-2-4(6)8-7-3;1-3-2/h11-18,20,29H,5-10H2,1-4H3,(H,30,33)(H,31,34);7,10-14,16,24H,4-6,8-9H2,1-3H3,(H,25,26);2*3-4H,2H2,1H3,(H2,7,9);2-4H,1H2,(H2,7,9);1-2H,(H2,6,8);3H,1H2,2H3
InChIKeyZIMPRSQBZPZQLG-UHFFFAOYSA-N
MW1686.81 g/mol
LogP14.35
Rot. Bonds20

About 6-bromopyridazin-3-amine;6-ethenylpyridazin-3-amine;bis(6-ethylpyridazin-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-[4-[(6-ethylpyridazin-3-yl)amino]-2-(ethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;prop-1-ene

6-bromopyridazin-3-amine;6-ethenylpyridazin-3-amine;bis(6-ethylpyridazin-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-[4-[(6-ethylpyridazin-3-yl)amino]-2-(ethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;prop-1-ene (PubChem CID 162129670) has the molecular formula C73H99Br2N21O8S4 and a molecular weight of 1686.81 g/mol. Its IUPAC name is 6-bromopyridazin-3-amine;6-ethenylpyridazin-3-amine;bis(6-ethylpyridazin-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-[4-[(6-ethylpyridazin-3-yl)amino]-2-(ethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;prop-1-ene.

Molecular Properties

Compound Name6-bromopyridazin-3-amine;6-ethenylpyridazin-3-amine;bis(6-ethylpyridazin-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-[4-[(6-ethylpyridazin-3-yl)amino]-2-(ethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;prop-1-ene
PubChem CID162129670
Molecular FormulaC73H99Br2N21O8S4
Molecular Weight1686.81 g/mol
Exact Mass1683.52
IUPAC Name6-bromopyridazin-3-amine;6-ethenylpyridazin-3-amine;bis(6-ethylpyridazin-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-[4-[(6-ethylpyridazin-3-yl)amino]-2-(ethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;prop-1-ene
SMILESC=CC.C=Cc1ccc(N)nn1.CCNS(=O)(=O)c1cc(Br)ccc1-c1cnc(C2CCC(NC(=O)OC(C)C)CC2)s1.CCNS(=O)(=O)c1cc(Nc2ccc(CC)nn2)ccc1-c1cnc(C2CCC(NC(=O)OC(C)C)CC2)s1.CCc1ccc(N)nn1.CCc1ccc(N)nn1.Nc1ccc(Br)nn1
InChIInChI=1S/C27H36N6O4S2.C21H28BrN3O4S2.2C6H9N3.C6H7N3.C4H4BrN3.C3H6/c1-5-19-12-14-25(33-32-19)30-21-11-13-22(24(15-21)39(35,36)29-6-2)23-16-28-26(38-23)18-7-9-20(10-8-18)31-27(34)37-17(3)4;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;3*1-2-5-3-4-6(7)9-8-5;5-3-1-2-4(6)8-7-3;1-3-2/h11-18,20,29H,5-10H2,1-4H3,(H,30,33)(H,31,34);7,10-14,16,24H,4-6,8-9H2,1-3H3,(H,25,26);2*3-4H,2H2,1H3,(H2,7,9);2-4H,1H2,(H2,7,9);1-2H,(H2,6,8);3H,1H2,2H3
InChIKeyZIMPRSQBZPZQLG-UHFFFAOYSA-N
XLogP14.35
TPSA439.79 Ų
H-Bond Donors9
H-Bond Acceptors27
Rotatable Bonds20
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001686.81
LogP ≤ 514.35
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-bromopyridazin-3-amine;6-ethenylpyridazin-3-amine;bis(6-ethylpyridazin-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-[4-[(6-ethylpyridazin-3-yl)amino]-2-(ethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;prop-1-ene with MolForge

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Related Compounds

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
propan-2-yl N-[4-[5-[2-(ethylsulfamoyl)-4-[(5-propan-2-ylpyrazin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 155100702
propan-2-yl N-[4-[5-[4-carbamoyl-2-(ethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 155100692
propan-2-yl N-[4-[5-[2-(ethylsulfamoyl)-4-(1,3-oxazol-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 155115313
propan-2-yl N-[4-[5-[2-(ethylsulfamoyl)-4-[(5-methyl-1H-imidazol-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 155100754
2-[3-(ethylsulfamoyl)-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]acetic acid
CID 155100768
5-bromo-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethylbenzenesulfonamide;propan-2-yl carbamate
CID 155693603
propan-2-yl N-[4-[5-[4-[(5-cyclopropyl-2-pyridinyl)amino]-2-cyclopropylsulfonylphenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 169228284
propan-2-yl N-[4-[5-[4-(1,2-oxazol-3-ylamino)-2-(propan-2-ylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 167262013
propan-2-yl N-[4-[5-[2-cyclopropylsulfonyl-4-[(5-methyl-2-pyridinyl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 167262093
2-methylpropanal;propan-2-yl N-[4-[5-[4-(azetidin-3-ylamino)-2-(ethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(ethylsulfamoyl)-4-[[1-(2-methylpropyl)azetidin-3-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 159352748
tert-butyl 3-[3-(tert-butylsulfamoyl)-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]anilino]pyrazole-1-carboxylate
CID 166513638

Frequently Asked Questions

What is the IUPAC name of 6-bromopyridazin-3-amine;6-ethenylpyridazin-3-amine;bis(6-ethylpyridazin-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-[4-[(6-ethylpyridazin-3-yl)amino]-2-(ethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;prop-1-ene?
The IUPAC name of 6-bromopyridazin-3-amine;6-ethenylpyridazin-3-amine;bis(6-ethylpyridazin-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-[4-[(6-ethylpyridazin-3-yl)amino]-2-(ethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;prop-1-ene (CID 162129670) is 6-bromopyridazin-3-amine;6-ethenylpyridazin-3-amine;bis(6-ethylpyridazin-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-[4-[(6-ethylpyridazin-3-yl)amino]-2-(ethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;prop-1-ene.
What is the SMILES notation for 6-bromopyridazin-3-amine;6-ethenylpyridazin-3-amine;bis(6-ethylpyridazin-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-[4-[(6-ethylpyridazin-3-yl)amino]-2-(ethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;prop-1-ene?
The canonical SMILES for 6-bromopyridazin-3-amine;6-ethenylpyridazin-3-amine;bis(6-ethylpyridazin-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-[4-[(6-ethylpyridazin-3-yl)amino]-2-(ethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;prop-1-ene is C=CC.C=Cc1ccc(N)nn1.CCNS(=O)(=O)c1cc(Br)ccc1-c1cnc(C2CCC(NC(=O)OC(C)C)CC2)s1.CCNS(=O)(=O)c1cc(Nc2ccc(CC)nn2)ccc1-c1cnc(C2CCC(NC(=O)OC(C)C)CC2)s1.CCc1ccc(N)nn1.CCc1ccc(N)nn1.Nc1ccc(Br)nn1.
What is the InChIKey of 6-bromopyridazin-3-amine;6-ethenylpyridazin-3-amine;bis(6-ethylpyridazin-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-[4-[(6-ethylpyridazin-3-yl)amino]-2-(ethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;prop-1-ene?
The InChIKey is ZIMPRSQBZPZQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O4S2.C21H28BrN3O4S2.2C6H9N3.C6H7N3.C4H4BrN3.C3H6/c1-5-19-12-14-25(33-32-19)30-21-11-13-22(24(15-21)39(35,36)29-6-2)23-16-28-26(38-23)18-7-9-20(10-8-18)31-27(34)37-17(3)4;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;3*1-2-5-3-4-6(7)9-8-5;5-3-1-2-4(6)8-7-3;1-3-2/h11-18,20,29H,5-10H2,1-4H3,(H,30,33)(H,31,34);7,10-14,16,24H,4-6,8-9H2,1-3H3,(H,25,26);2*3-4H,2H2,1H3,(H2,7,9);2-4H,1H2,(H2,7,9);1-2H,(H2,6,8);3H,1H2,2H3.
What are the key properties of 6-bromopyridazin-3-amine;6-ethenylpyridazin-3-amine;bis(6-ethylpyridazin-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-[4-[(6-ethylpyridazin-3-yl)amino]-2-(ethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;prop-1-ene?
6-bromopyridazin-3-amine;6-ethenylpyridazin-3-amine;bis(6-ethylpyridazin-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-[4-[(6-ethylpyridazin-3-yl)amino]-2-(ethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;prop-1-ene has a molecular weight of 1686.81 g/mol, XLogP of 14.35, 20 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromopyridazin-3-amine;6-ethenylpyridazin-3-amine;bis(6-ethylpyridazin-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-[4-[(6-ethylpyridazin-3-yl)amino]-2-(ethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;prop-1-ene is sourced from PubChem (CID 162129670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).