About N-benzyl-5-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[6-[4-[5-(4,4-dimethylpentanoyl)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[5-(4-methylpentanoyl)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-(oxetan-3-ylmethyl)-5-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-(pyridin-2-ylmethyl)-5-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[6-[4-[5-(4-pyrrolidin-1-ylbutanoyl)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
N-benzyl-5-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[6-[4-[5-(4,4-dimethylpentanoyl)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[5-(4-methylpentanoyl)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-(oxetan-3-ylmethyl)-5-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-(pyridin-2-ylmethyl)-5-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[6-[4-[5-(4-pyrrolidin-1-ylbutanoyl)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide (PubChem CID 157093780) has the molecular formula C153H163F15N36O18S6
and a molecular weight of 3271.59 g/mol. Its IUPAC name is N-benzyl-5-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[6-[4-[5-(4,4-dimethylpentanoyl)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[5-(4-methylpentanoyl)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-(oxetan-3-ylmethyl)-5-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-(pyridin-2-ylmethyl)-5-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[6-[4-[5-(4-pyrrolidin-1-ylbutanoyl)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide.
Frequently Asked Questions
What is the IUPAC name of N-benzyl-5-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[6-[4-[5-(4,4-dimethylpentanoyl)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[5-(4-methylpentanoyl)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-(oxetan-3-ylmethyl)-5-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-(pyridin-2-ylmethyl)-5-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[6-[4-[5-(4-pyrrolidin-1-ylbutanoyl)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-benzyl-5-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[6-[4-[5-(4,4-dimethylpentanoyl)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[5-(4-methylpentanoyl)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-(oxetan-3-ylmethyl)-5-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-(pyridin-2-ylmethyl)-5-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[6-[4-[5-(4-pyrrolidin-1-ylbutanoyl)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide (CID 157093780) is N-benzyl-5-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[6-[4-[5-(4,4-dimethylpentanoyl)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[5-(4-methylpentanoyl)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-(oxetan-3-ylmethyl)-5-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-(pyridin-2-ylmethyl)-5-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[6-[4-[5-(4-pyrrolidin-1-ylbutanoyl)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-benzyl-5-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[6-[4-[5-(4,4-dimethylpentanoyl)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[5-(4-methylpentanoyl)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-(oxetan-3-ylmethyl)-5-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-(pyridin-2-ylmethyl)-5-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[6-[4-[5-(4-pyrrolidin-1-ylbutanoyl)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-benzyl-5-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[6-[4-[5-(4,4-dimethylpentanoyl)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[5-(4-methylpentanoyl)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-(oxetan-3-ylmethyl)-5-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-(pyridin-2-ylmethyl)-5-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[6-[4-[5-(4-pyrrolidin-1-ylbutanoyl)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide is CC(C)(C)CCC(=O)c1nnc(CCCCc2ccc(NC(=O)Cc3cccc(OC(F)(F)F)c3)nn2)s1.CC(C)CCC(=O)c1nnc(CCCCc2ccc(NC(=O)Cc3cccc(OC(F)(F)F)c3)nn2)s1.O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(CCCCc2nnc(C(=O)CCCN3CCCC3)s2)nn1.O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(CCCCc2nnc(C(=O)NCC3COC3)s2)nn1.O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(CCCCc2nnc(C(=O)NCc3ccccn3)s2)nn1.O=C(Cc1cccnc1)Nc1ccc(CCCCc2nnc(C(=O)NCc3ccccc3)s2)nn1.
What is the InChIKey of N-benzyl-5-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[6-[4-[5-(4,4-dimethylpentanoyl)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[5-(4-methylpentanoyl)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-(oxetan-3-ylmethyl)-5-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-(pyridin-2-ylmethyl)-5-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[6-[4-[5-(4-pyrrolidin-1-ylbutanoyl)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is AEYSJTFGOFXMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F3N6O3S.C26H24F3N7O3S.C26H30F3N5O3S.C25H28F3N5O3S.C25H25N7O2S.C24H25F3N6O4S/c28-27(29,30)39-21-9-5-7-19(17-21)18-24(38)31-23-13-12-20(32-33-23)8-1-2-11-25-34-35-26(40-25)22(37)10-6-16-36-14-3-4-15-36;27-26(28,29)39-20-9-5-6-17(14-20)15-22(37)32-21-12-11-18(33-34-21)7-1-2-10-23-35-36-25(40-23)24(38)31-16-19-8-3-4-13-30-19;1-25(2,3)14-13-20(35)24-34-33-23(38-24)10-5-4-8-18-11-12-21(32-31-18)30-22(36)16-17-7-6-9-19(15-17)37-26(27,28)29;1-16(2)10-12-20(34)24-33-32-23(37-24)9-4-3-7-18-11-13-21(31-30-18)29-22(35)15-17-6-5-8-19(14-17)36-25(26,27)28;33-22(15-19-9-6-14-26-16-19)28-21-13-12-20(29-30-21)10-4-5-11-23-31-32-25(35-23)24(34)27-17-18-7-2-1-3-8-18;25-24(26,27)37-18-6-3-4-15(10-18)11-20(34)29-19-9-8-17(30-31-19)5-1-2-7-21-32-33-23(38-21)22(35)28-12-16-13-36-14-16/h5,7,9,12-13,17H,1-4,6,8,10-11,14-16,18H2,(H,31,33,38);3-6,8-9,11-14H,1-2,7,10,15-16H2,(H,31,38)(H,32,34,37);6-7,9,11-12,15H,4-5,8,10,13-14,16H2,1-3H3,(H,30,32,36);5-6,8,11,13-14,16H,3-4,7,9-10,12,15H2,1-2H3,(H,29,31,35);1-3,6-9,12-14,16H,4-5,10-11,15,17H2,(H,27,34)(H,28,30,33);3-4,6,8-10,16H,1-2,5,7,11-14H2,(H,28,35)(H,29,31,34).
What are the key properties of N-benzyl-5-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[6-[4-[5-(4,4-dimethylpentanoyl)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[5-(4-methylpentanoyl)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-(oxetan-3-ylmethyl)-5-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-(pyridin-2-ylmethyl)-5-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[6-[4-[5-(4-pyrrolidin-1-ylbutanoyl)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide?
N-benzyl-5-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[6-[4-[5-(4,4-dimethylpentanoyl)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[5-(4-methylpentanoyl)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-(oxetan-3-ylmethyl)-5-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-(pyridin-2-ylmethyl)-5-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[6-[4-[5-(4-pyrrolidin-1-ylbutanoyl)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 3271.59 g/mol, XLogP of 27.65, 74 rotatable bonds, 9 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[6-[4-[5-(4,4-dimethylpentanoyl)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[5-(4-methylpentanoyl)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-(oxetan-3-ylmethyl)-5-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-(pyridin-2-ylmethyl)-5-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[6-[4-[5-(4-pyrrolidin-1-ylbutanoyl)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 157093780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).