N-cyclopropyl-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-(cyclopropylmethyl)-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[5-[4-[4-(4,4-difluoropentanoyl)triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;1-[2-fluoro-4-[4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-[(3-fluoro-2-pyridinyl)methyl]-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[2-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide

C151H150F31N53O20S5 — CID 160526894

IUPACN-cyclopropyl-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-(cyclopropylmethyl)-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[5-[4-[4-(4,4-difluoropentanoyl)triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;1-[2-fluoro-4-[4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-[(3-fluoro-2-pyridinyl)methyl]-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[2-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide
SMILESCC(F)(F)CCC(=O)c1cn(CC(F)CCc2nnc(NC(=O)Cc3cccc(OC(F)(F)F)c3)s2)nn1.CC(F)(F)c1ccnc(CNC(=O)c2cn(CC(F)CCc3nnc(NC(=O)Cc4ccccn4)s3)nn2)c1.CNC(=O)c1cn(CC(F)CCn2cc(NC(=O)Cc3cc(OC(F)(F)F)ccc3F)nn2)nn1.CNC(=O)c1cn(CC(F)CCn2cc(NC(=O)Cc3cccc(OC(F)(F)F)c3)nn2)nn1.O=C(Cc1cccc(OC(F)(F)F)c1)Nc1nnc(CCC(F)Cn2cc(C(=O)NC3CC3)nn2)s1.O=C(Cc1cccc(OC(F)(F)F)c1)Nc1nnc(CCC(F)Cn2cc(C(=O)NCC3CC3)nn2)s1.O=C(Cc1cccc(OC(F)(F)F)c1)Nc1nnc(CCC(F)Cn2cc(C(=O)NCc3ncccc3F)nn2)s1
InChIInChI=1S/C24H21F5N8O3S.C24H24F3N9O2S.C22H22F6N6O3S.C22H23F4N7O3S.C21H21F4N7O3S.C19H19F5N8O3.C19H20F4N8O3/c25-15(12-37-13-19(33-36-37)22(39)31-11-18-17(26)5-2-8-30-18)6-7-21-34-35-23(41-21)32-20(38)10-14-3-1-4-16(9-14)40-24(27,28)29;1-24(26,27)15-7-9-29-18(10-15)12-30-22(38)19-14-36(35-32-19)13-16(25)5-6-21-33-34-23(39-21)31-20(37)11-17-4-2-3-8-28-17;1-21(24,25)8-7-17(35)16-12-34(33-30-16)11-14(23)5-6-19-31-32-20(38-19)29-18(36)10-13-3-2-4-15(9-13)37-22(26,27)28;23-15(11-33-12-17(29-32-33)20(35)27-10-13-4-5-13)6-7-19-30-31-21(37-19)28-18(34)9-14-2-1-3-16(8-14)36-22(24,25)26;22-13(10-32-11-16(28-31-32)19(34)26-14-5-6-14)4-7-18-29-30-20(36-18)27-17(33)9-12-2-1-3-15(8-12)35-21(23,24)25;1-25-18(34)15-9-32(29-27-15)8-12(20)4-5-31-10-16(28-30-31)26-17(33)7-11-6-13(2-3-14(11)21)35-19(22,23)24;1-24-18(33)15-10-31(28-26-15)9-13(20)5-6-30-11-16(27-29-30)25-17(32)8-12-3-2-4-14(7-12)34-19(21,22)23/h1-5,8-9,13,15H,6-7,10-12H2,(H,31,39)(H,32,35,38);2-4,7-10,14,16H,5-6,11-13H2,1H3,(H,30,38)(H,31,34,37);2-4,9,12,14H,5-8,10-11H2,1H3,(H,29,32,36);1-3,8,12-13,15H,4-7,9-11H2,(H,27,35)(H,28,31,34);1-3,8,11,13-14H,4-7,9-10H2,(H,26,34)(H,27,30,33);2-3,6,9-10,12H,4-5,7-8H2,1H3,(H,25,34)(H,26,33);2-4,7,10-11,13H,5-6,8-9H2,1H3,(H,24,33)(H,25,32)
InChIKeyQVAJMDWZQNBAEQ-UHFFFAOYSA-N
MW3776.48 g/mol
LogP21.56
Rot. Bonds80

About N-cyclopropyl-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-(cyclopropylmethyl)-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[5-[4-[4-(4,4-difluoropentanoyl)triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;1-[2-fluoro-4-[4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-[(3-fluoro-2-pyridinyl)methyl]-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[2-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide

N-cyclopropyl-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-(cyclopropylmethyl)-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[5-[4-[4-(4,4-difluoropentanoyl)triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;1-[2-fluoro-4-[4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-[(3-fluoro-2-pyridinyl)methyl]-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[2-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide (PubChem CID 160526894) has the molecular formula C151H150F31N53O20S5 and a molecular weight of 3776.48 g/mol. Its IUPAC name is N-cyclopropyl-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-(cyclopropylmethyl)-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[5-[4-[4-(4,4-difluoropentanoyl)triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;1-[2-fluoro-4-[4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-[(3-fluoro-2-pyridinyl)methyl]-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[2-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-(cyclopropylmethyl)-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[5-[4-[4-(4,4-difluoropentanoyl)triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;1-[2-fluoro-4-[4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-[(3-fluoro-2-pyridinyl)methyl]-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[2-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide
PubChem CID160526894
Molecular FormulaC151H150F31N53O20S5
Molecular Weight3776.48 g/mol
Exact Mass3774.05
IUPAC NameN-cyclopropyl-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-(cyclopropylmethyl)-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[5-[4-[4-(4,4-difluoropentanoyl)triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;1-[2-fluoro-4-[4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-[(3-fluoro-2-pyridinyl)methyl]-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[2-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide
SMILESCC(F)(F)CCC(=O)c1cn(CC(F)CCc2nnc(NC(=O)Cc3cccc(OC(F)(F)F)c3)s2)nn1.CC(F)(F)c1ccnc(CNC(=O)c2cn(CC(F)CCc3nnc(NC(=O)Cc4ccccn4)s3)nn2)c1.CNC(=O)c1cn(CC(F)CCn2cc(NC(=O)Cc3cc(OC(F)(F)F)ccc3F)nn2)nn1.CNC(=O)c1cn(CC(F)CCn2cc(NC(=O)Cc3cccc(OC(F)(F)F)c3)nn2)nn1.O=C(Cc1cccc(OC(F)(F)F)c1)Nc1nnc(CCC(F)Cn2cc(C(=O)NC3CC3)nn2)s1.O=C(Cc1cccc(OC(F)(F)F)c1)Nc1nnc(CCC(F)Cn2cc(C(=O)NCC3CC3)nn2)s1.O=C(Cc1cccc(OC(F)(F)F)c1)Nc1nnc(CCC(F)Cn2cc(C(=O)NCc3ncccc3F)nn2)s1
InChIInChI=1S/C24H21F5N8O3S.C24H24F3N9O2S.C22H22F6N6O3S.C22H23F4N7O3S.C21H21F4N7O3S.C19H19F5N8O3.C19H20F4N8O3/c25-15(12-37-13-19(33-36-37)22(39)31-11-18-17(26)5-2-8-30-18)6-7-21-34-35-23(41-21)32-20(38)10-14-3-1-4-16(9-14)40-24(27,28)29;1-24(26,27)15-7-9-29-18(10-15)12-30-22(38)19-14-36(35-32-19)13-16(25)5-6-21-33-34-23(39-21)31-20(37)11-17-4-2-3-8-28-17;1-21(24,25)8-7-17(35)16-12-34(33-30-16)11-14(23)5-6-19-31-32-20(38-19)29-18(36)10-13-3-2-4-15(9-13)37-22(26,27)28;23-15(11-33-12-17(29-32-33)20(35)27-10-13-4-5-13)6-7-19-30-31-21(37-19)28-18(34)9-14-2-1-3-16(8-14)36-22(24,25)26;22-13(10-32-11-16(28-31-32)19(34)26-14-5-6-14)4-7-18-29-30-20(36-18)27-17(33)9-12-2-1-3-15(8-12)35-21(23,24)25;1-25-18(34)15-9-32(29-27-15)8-12(20)4-5-31-10-16(28-30-31)26-17(33)7-11-6-13(2-3-14(11)21)35-19(22,23)24;1-24-18(33)15-10-31(28-26-15)9-13(20)5-6-30-11-16(27-29-30)25-17(32)8-12-3-2-4-14(7-12)34-19(21,22)23/h1-5,8-9,13,15H,6-7,10-12H2,(H,31,39)(H,32,35,38);2-4,7-10,14,16H,5-6,11-13H2,1H3,(H,30,38)(H,31,34,37);2-4,9,12,14H,5-8,10-11H2,1H3,(H,29,32,36);1-3,8,12-13,15H,4-7,9-11H2,(H,27,35)(H,28,31,34);1-3,8,11,13-14H,4-7,9-10H2,(H,26,34)(H,27,30,33);2-3,6,9-10,12H,4-5,7-8H2,1H3,(H,25,34)(H,26,33);2-4,7,10-11,13H,5-6,8-9H2,1H3,(H,24,33)(H,25,32)
InChIKeyQVAJMDWZQNBAEQ-UHFFFAOYSA-N
XLogP21.56
TPSA894.71 Ų
H-Bond Donors13
H-Bond Acceptors65
Rotatable Bonds80
Heavy Atoms260
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003776.48
LogP ≤ 521.56
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1065

Analyze N-cyclopropyl-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-(cyclopropylmethyl)-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[5-[4-[4-(4,4-difluoropentanoyl)triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;1-[2-fluoro-4-[4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-[(3-fluoro-2-pyridinyl)methyl]-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[2-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-(cyclopropylmethyl)-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[5-[4-[4-(4,4-difluoropentanoyl)triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;1-[2-fluoro-4-[4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-[(3-fluoro-2-pyridinyl)methyl]-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[2-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-(cyclopropylmethyl)-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[5-[4-[4-(4,4-difluoropentanoyl)triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;1-[2-fluoro-4-[4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-[(3-fluoro-2-pyridinyl)methyl]-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[2-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide (CID 160526894) is N-cyclopropyl-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-(cyclopropylmethyl)-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[5-[4-[4-(4,4-difluoropentanoyl)triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;1-[2-fluoro-4-[4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-[(3-fluoro-2-pyridinyl)methyl]-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[2-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-(cyclopropylmethyl)-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[5-[4-[4-(4,4-difluoropentanoyl)triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;1-[2-fluoro-4-[4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-[(3-fluoro-2-pyridinyl)methyl]-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[2-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-(cyclopropylmethyl)-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[5-[4-[4-(4,4-difluoropentanoyl)triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;1-[2-fluoro-4-[4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-[(3-fluoro-2-pyridinyl)methyl]-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[2-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide is CC(F)(F)CCC(=O)c1cn(CC(F)CCc2nnc(NC(=O)Cc3cccc(OC(F)(F)F)c3)s2)nn1.CC(F)(F)c1ccnc(CNC(=O)c2cn(CC(F)CCc3nnc(NC(=O)Cc4ccccn4)s3)nn2)c1.CNC(=O)c1cn(CC(F)CCn2cc(NC(=O)Cc3cc(OC(F)(F)F)ccc3F)nn2)nn1.CNC(=O)c1cn(CC(F)CCn2cc(NC(=O)Cc3cccc(OC(F)(F)F)c3)nn2)nn1.O=C(Cc1cccc(OC(F)(F)F)c1)Nc1nnc(CCC(F)Cn2cc(C(=O)NC3CC3)nn2)s1.O=C(Cc1cccc(OC(F)(F)F)c1)Nc1nnc(CCC(F)Cn2cc(C(=O)NCC3CC3)nn2)s1.O=C(Cc1cccc(OC(F)(F)F)c1)Nc1nnc(CCC(F)Cn2cc(C(=O)NCc3ncccc3F)nn2)s1.
What is the InChIKey of N-cyclopropyl-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-(cyclopropylmethyl)-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[5-[4-[4-(4,4-difluoropentanoyl)triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;1-[2-fluoro-4-[4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-[(3-fluoro-2-pyridinyl)methyl]-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[2-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide?
The InChIKey is QVAJMDWZQNBAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F5N8O3S.C24H24F3N9O2S.C22H22F6N6O3S.C22H23F4N7O3S.C21H21F4N7O3S.C19H19F5N8O3.C19H20F4N8O3/c25-15(12-37-13-19(33-36-37)22(39)31-11-18-17(26)5-2-8-30-18)6-7-21-34-35-23(41-21)32-20(38)10-14-3-1-4-16(9-14)40-24(27,28)29;1-24(26,27)15-7-9-29-18(10-15)12-30-22(38)19-14-36(35-32-19)13-16(25)5-6-21-33-34-23(39-21)31-20(37)11-17-4-2-3-8-28-17;1-21(24,25)8-7-17(35)16-12-34(33-30-16)11-14(23)5-6-19-31-32-20(38-19)29-18(36)10-13-3-2-4-15(9-13)37-22(26,27)28;23-15(11-33-12-17(29-32-33)20(35)27-10-13-4-5-13)6-7-19-30-31-21(37-19)28-18(34)9-14-2-1-3-16(8-14)36-22(24,25)26;22-13(10-32-11-16(28-31-32)19(34)26-14-5-6-14)4-7-18-29-30-20(36-18)27-17(33)9-12-2-1-3-15(8-12)35-21(23,24)25;1-25-18(34)15-9-32(29-27-15)8-12(20)4-5-31-10-16(28-30-31)26-17(33)7-11-6-13(2-3-14(11)21)35-19(22,23)24;1-24-18(33)15-10-31(28-26-15)9-13(20)5-6-30-11-16(27-29-30)25-17(32)8-12-3-2-4-14(7-12)34-19(21,22)23/h1-5,8-9,13,15H,6-7,10-12H2,(H,31,39)(H,32,35,38);2-4,7-10,14,16H,5-6,11-13H2,1H3,(H,30,38)(H,31,34,37);2-4,9,12,14H,5-8,10-11H2,1H3,(H,29,32,36);1-3,8,12-13,15H,4-7,9-11H2,(H,27,35)(H,28,31,34);1-3,8,11,13-14H,4-7,9-10H2,(H,26,34)(H,27,30,33);2-3,6,9-10,12H,4-5,7-8H2,1H3,(H,25,34)(H,26,33);2-4,7,10-11,13H,5-6,8-9H2,1H3,(H,24,33)(H,25,32).
What are the key properties of N-cyclopropyl-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-(cyclopropylmethyl)-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[5-[4-[4-(4,4-difluoropentanoyl)triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;1-[2-fluoro-4-[4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-[(3-fluoro-2-pyridinyl)methyl]-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[2-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide?
N-cyclopropyl-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-(cyclopropylmethyl)-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[5-[4-[4-(4,4-difluoropentanoyl)triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;1-[2-fluoro-4-[4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-[(3-fluoro-2-pyridinyl)methyl]-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[2-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide has a molecular weight of 3776.48 g/mol, XLogP of 21.56, 80 rotatable bonds, 13 hydrogen bond donors, and 65 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-(cyclopropylmethyl)-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[5-[4-[4-(4,4-difluoropentanoyl)triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;1-[2-fluoro-4-[4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-[(3-fluoro-2-pyridinyl)methyl]-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[2-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide is sourced from PubChem (CID 160526894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).