5-[3-fluoro-4-[4-(methylcarbamoyl)triazol-1-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide;1-[2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[2-fluoro-4-[5-[[2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-(pyridin-3-ylmethyl)triazole-4-carboxamide

C126H129F16N49O13S5 — CID 160640490

IUPAC5-[3-fluoro-4-[4-(methylcarbamoyl)triazol-1-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide;1-[2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[2-fluoro-4-[5-[[2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-(pyridin-3-ylmethyl)triazole-4-carboxamide
SMILESCNC(=O)c1cn(CC(F)CCc2nnc(C(=O)NCc3cc(C(F)(F)F)ccn3)s2)nn1.CNC(=O)c1cn(CC(F)CCc2nnc(NC(=O)Cc3cc(-c4cccc(OC(F)(F)F)c4)ccn3)s2)nn1.CNC(=O)c1cn(CCC(F)Cn2cc(C(=O)NCc3cc(C(F)(F)F)ccn3)nn2)nn1.CNC(=O)c1cn(CCCCc2nnc(NC(=O)Cc3cccc(C)c3)s2)nn1.Cc1cccc(CC(=O)Nc2nnc(CCCCn3cc(C(=O)NCc4cccnc4)nn3)s2)c1.O=C(Cc1ccccn1)Nc1nnc(CCC(F)Cn2cc(C(=O)NCc3cc(C(F)(F)F)ccn3)nn2)s1
InChIInChI=1S/C24H22F4N8O3S.C24H26N8O2S.C23H21F4N9O2S.C19H23N7O2S.C18H19F4N9O2.C18H18F4N8O2S/c1-29-22(38)19-13-36(35-32-19)12-16(25)5-6-21-33-34-23(40-21)31-20(37)11-17-9-15(7-8-30-17)14-3-2-4-18(10-14)39-24(26,27)28;1-17-6-4-7-18(12-17)13-21(33)27-24-30-29-22(35-24)9-2-3-11-32-16-20(28-31-32)23(34)26-15-19-8-5-10-25-14-19;24-15(4-5-20-33-34-22(39-20)31-19(37)10-16-3-1-2-7-28-16)12-36-13-18(32-35-36)21(38)30-11-17-9-14(6-8-29-17)23(25,26)27;1-13-6-5-7-14(10-13)11-16(27)21-19-24-23-17(29-19)8-3-4-9-26-12-15(22-25-26)18(28)20-2;1-23-16(32)14-9-30(28-26-14)5-3-12(19)8-31-10-15(27-29-31)17(33)25-7-13-6-11(2-4-24-13)18(20,21)22;1-23-15(31)13-9-30(29-26-13)8-11(19)2-3-14-27-28-17(33-14)16(32)25-7-12-6-10(4-5-24-12)18(20,21)22/h2-4,7-10,13,16H,5-6,11-12H2,1H3,(H,29,38)(H,31,34,37);4-8,10,12,14,16H,2-3,9,11,13,15H2,1H3,(H,26,34)(H,27,30,33);1-3,6-9,13,15H,4-5,10-12H2,(H,30,38)(H,31,34,37);5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,20,28)(H,21,24,27);2,4,6,9-10,12H,3,5,7-8H2,1H3,(H,23,32)(H,25,33);4-6,9,11H,2-3,7-8H2,1H3,(H,23,31)(H,25,32)
InChIKeyRJCMJSZZUDLCPY-UHFFFAOYSA-N
MW3002.05 g/mol
LogP14.40
Rot. Bonds60

About 5-[3-fluoro-4-[4-(methylcarbamoyl)triazol-1-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide;1-[2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[2-fluoro-4-[5-[[2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-(pyridin-3-ylmethyl)triazole-4-carboxamide

5-[3-fluoro-4-[4-(methylcarbamoyl)triazol-1-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide;1-[2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[2-fluoro-4-[5-[[2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-(pyridin-3-ylmethyl)triazole-4-carboxamide (PubChem CID 160640490) has the molecular formula C126H129F16N49O13S5 and a molecular weight of 3002.05 g/mol. Its IUPAC name is 5-[3-fluoro-4-[4-(methylcarbamoyl)triazol-1-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide;1-[2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[2-fluoro-4-[5-[[2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-(pyridin-3-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-[3-fluoro-4-[4-(methylcarbamoyl)triazol-1-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide;1-[2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[2-fluoro-4-[5-[[2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-(pyridin-3-ylmethyl)triazole-4-carboxamide
PubChem CID160640490
Molecular FormulaC126H129F16N49O13S5
Molecular Weight3002.05 g/mol
Exact Mass2999.93
IUPAC Name5-[3-fluoro-4-[4-(methylcarbamoyl)triazol-1-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide;1-[2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[2-fluoro-4-[5-[[2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-(pyridin-3-ylmethyl)triazole-4-carboxamide
SMILESCNC(=O)c1cn(CC(F)CCc2nnc(C(=O)NCc3cc(C(F)(F)F)ccn3)s2)nn1.CNC(=O)c1cn(CC(F)CCc2nnc(NC(=O)Cc3cc(-c4cccc(OC(F)(F)F)c4)ccn3)s2)nn1.CNC(=O)c1cn(CCC(F)Cn2cc(C(=O)NCc3cc(C(F)(F)F)ccn3)nn2)nn1.CNC(=O)c1cn(CCCCc2nnc(NC(=O)Cc3cccc(C)c3)s2)nn1.Cc1cccc(CC(=O)Nc2nnc(CCCCn3cc(C(=O)NCc4cccnc4)nn3)s2)c1.O=C(Cc1ccccn1)Nc1nnc(CCC(F)Cn2cc(C(=O)NCc3cc(C(F)(F)F)ccn3)nn2)s1
InChIInChI=1S/C24H22F4N8O3S.C24H26N8O2S.C23H21F4N9O2S.C19H23N7O2S.C18H19F4N9O2.C18H18F4N8O2S/c1-29-22(38)19-13-36(35-32-19)12-16(25)5-6-21-33-34-23(40-21)31-20(37)11-17-9-15(7-8-30-17)14-3-2-4-18(10-14)39-24(26,27)28;1-17-6-4-7-18(12-17)13-21(33)27-24-30-29-22(35-24)9-2-3-11-32-16-20(28-31-32)23(34)26-15-19-8-5-10-25-14-19;24-15(4-5-20-33-34-22(39-20)31-19(37)10-16-3-1-2-7-28-16)12-36-13-18(32-35-36)21(38)30-11-17-9-14(6-8-29-17)23(25,26)27;1-13-6-5-7-14(10-13)11-16(27)21-19-24-23-17(29-19)8-3-4-9-26-12-15(22-25-26)18(28)20-2;1-23-16(32)14-9-30(28-26-14)5-3-12(19)8-31-10-15(27-29-31)17(33)25-7-13-6-11(2-4-24-13)18(20,21)22;1-23-15(31)13-9-30(29-26-13)8-11(19)2-3-14-27-28-17(33-14)16(32)25-7-12-6-10(4-5-24-12)18(20,21)22/h2-4,7-10,13,16H,5-6,11-12H2,1H3,(H,29,38)(H,31,34,37);4-8,10,12,14,16H,2-3,9,11,13,15H2,1H3,(H,26,34)(H,27,30,33);1-3,6-9,13,15H,4-5,10-12H2,(H,30,38)(H,31,34,37);5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,20,28)(H,21,24,27);2,4,6,9-10,12H,3,5,7-8H2,1H3,(H,23,32)(H,25,33);4-6,9,11H,2-3,7-8H2,1H3,(H,23,31)(H,25,32)
InChIKeyRJCMJSZZUDLCPY-UHFFFAOYSA-N
XLogP14.40
TPSA779.64 Ų
H-Bond Donors12
H-Bond Acceptors55
Rotatable Bonds60
Heavy Atoms209
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003002.05
LogP ≤ 514.40
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1055

Computed Properties (RDKit)

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

Analyze 5-[3-fluoro-4-[4-(methylcarbamoyl)triazol-1-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide;1-[2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[2-fluoro-4-[5-[[2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-(pyridin-3-ylmethyl)triazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-4-[4-(methylcarbamoyl)triazol-1-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide;1-[2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[2-fluoro-4-[5-[[2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-(pyridin-3-ylmethyl)triazole-4-carboxamide?
The IUPAC name of 5-[3-fluoro-4-[4-(methylcarbamoyl)triazol-1-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide;1-[2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[2-fluoro-4-[5-[[2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-(pyridin-3-ylmethyl)triazole-4-carboxamide (CID 160640490) is 5-[3-fluoro-4-[4-(methylcarbamoyl)triazol-1-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide;1-[2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[2-fluoro-4-[5-[[2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-(pyridin-3-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for 5-[3-fluoro-4-[4-(methylcarbamoyl)triazol-1-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide;1-[2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[2-fluoro-4-[5-[[2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-(pyridin-3-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for 5-[3-fluoro-4-[4-(methylcarbamoyl)triazol-1-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide;1-[2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[2-fluoro-4-[5-[[2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-(pyridin-3-ylmethyl)triazole-4-carboxamide is CNC(=O)c1cn(CC(F)CCc2nnc(C(=O)NCc3cc(C(F)(F)F)ccn3)s2)nn1.CNC(=O)c1cn(CC(F)CCc2nnc(NC(=O)Cc3cc(-c4cccc(OC(F)(F)F)c4)ccn3)s2)nn1.CNC(=O)c1cn(CCC(F)Cn2cc(C(=O)NCc3cc(C(F)(F)F)ccn3)nn2)nn1.CNC(=O)c1cn(CCCCc2nnc(NC(=O)Cc3cccc(C)c3)s2)nn1.Cc1cccc(CC(=O)Nc2nnc(CCCCn3cc(C(=O)NCc4cccnc4)nn3)s2)c1.O=C(Cc1ccccn1)Nc1nnc(CCC(F)Cn2cc(C(=O)NCc3cc(C(F)(F)F)ccn3)nn2)s1.
What is the InChIKey of 5-[3-fluoro-4-[4-(methylcarbamoyl)triazol-1-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide;1-[2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[2-fluoro-4-[5-[[2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-(pyridin-3-ylmethyl)triazole-4-carboxamide?
The InChIKey is RJCMJSZZUDLCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F4N8O3S.C24H26N8O2S.C23H21F4N9O2S.C19H23N7O2S.C18H19F4N9O2.C18H18F4N8O2S/c1-29-22(38)19-13-36(35-32-19)12-16(25)5-6-21-33-34-23(40-21)31-20(37)11-17-9-15(7-8-30-17)14-3-2-4-18(10-14)39-24(26,27)28;1-17-6-4-7-18(12-17)13-21(33)27-24-30-29-22(35-24)9-2-3-11-32-16-20(28-31-32)23(34)26-15-19-8-5-10-25-14-19;24-15(4-5-20-33-34-22(39-20)31-19(37)10-16-3-1-2-7-28-16)12-36-13-18(32-35-36)21(38)30-11-17-9-14(6-8-29-17)23(25,26)27;1-13-6-5-7-14(10-13)11-16(27)21-19-24-23-17(29-19)8-3-4-9-26-12-15(22-25-26)18(28)20-2;1-23-16(32)14-9-30(28-26-14)5-3-12(19)8-31-10-15(27-29-31)17(33)25-7-13-6-11(2-4-24-13)18(20,21)22;1-23-15(31)13-9-30(29-26-13)8-11(19)2-3-14-27-28-17(33-14)16(32)25-7-12-6-10(4-5-24-12)18(20,21)22/h2-4,7-10,13,16H,5-6,11-12H2,1H3,(H,29,38)(H,31,34,37);4-8,10,12,14,16H,2-3,9,11,13,15H2,1H3,(H,26,34)(H,27,30,33);1-3,6-9,13,15H,4-5,10-12H2,(H,30,38)(H,31,34,37);5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,20,28)(H,21,24,27);2,4,6,9-10,12H,3,5,7-8H2,1H3,(H,23,32)(H,25,33);4-6,9,11H,2-3,7-8H2,1H3,(H,23,31)(H,25,32).
What are the key properties of 5-[3-fluoro-4-[4-(methylcarbamoyl)triazol-1-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide;1-[2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[2-fluoro-4-[5-[[2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-(pyridin-3-ylmethyl)triazole-4-carboxamide?
5-[3-fluoro-4-[4-(methylcarbamoyl)triazol-1-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide;1-[2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[2-fluoro-4-[5-[[2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-(pyridin-3-ylmethyl)triazole-4-carboxamide has a molecular weight of 3002.05 g/mol, XLogP of 14.40, 60 rotatable bonds, 12 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-4-[4-(methylcarbamoyl)triazol-1-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide;1-[2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[2-fluoro-4-[5-[[2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-(pyridin-3-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 160640490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).