5-[4-[4-(benzylcarbamoyl)triazol-1-yl]butyl]-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-(benzylcarbamoyl)triazol-1-yl]butyl]-N-propyl-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4-thiadiazole-2-carboxamide;N-(2-methylpropyl)-5-[4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-propyl-5-[4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide

C133H155F13N42O17S6 — CID 157489921

IUPAC5-[4-[4-(benzylcarbamoyl)triazol-1-yl]butyl]-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-(benzylcarbamoyl)triazol-1-yl]butyl]-N-propyl-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4-thiadiazole-2-carboxamide;N-(2-methylpropyl)-5-[4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-propyl-5-[4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCC(C)CNC(=O)c1nnc(CCCCn2cc(C(=O)NCc3cccc(OC(F)(F)F)c3)nn2)s1.CC(C)CNC(=O)c1nnc(CCCCn2cc(C(=O)NCc3ccccc3)nn2)s1.CC(C)NC(=O)c1nnc(CCCCn2cc(C(=O)NCc3cccc(OC(C)(F)F)c3)nn2)s1.CC(F)(F)Oc1cccc(CNC(=O)c2cn(CCCCc3nnc(C(=O)NCc4cccc(OC(F)(F)F)c4)s3)nn2)c1.CCCNC(=O)c1nnc(CCCCn2cc(C(=O)NCc3cccc(OC(F)(F)F)c3)nn2)s1.CCCNC(=O)c1nnc(CCCCn2cc(C(=O)NCc3ccccc3)nn2)s1
InChIInChI=1S/C27H26F5N7O4S.C22H26F3N7O3S.C22H27F2N7O3S.C21H24F3N7O3S.C21H27N7O2S.C20H25N7O2S/c1-26(28,29)42-19-8-4-6-17(12-19)14-33-23(40)21-16-39(38-35-21)11-3-2-10-22-36-37-25(44-22)24(41)34-15-18-7-5-9-20(13-18)43-27(30,31)32;1-14(2)11-26-20(34)21-30-29-18(36-21)8-3-4-9-32-13-17(28-31-32)19(33)27-12-15-6-5-7-16(10-15)35-22(23,24)25;1-14(2)26-20(33)21-29-28-18(35-21)9-4-5-10-31-13-17(27-30-31)19(32)25-12-15-7-6-8-16(11-15)34-22(3,23)24;1-2-9-25-19(33)20-29-28-17(35-20)8-3-4-10-31-13-16(27-30-31)18(32)26-12-14-6-5-7-15(11-14)34-21(22,23)24;1-15(2)12-22-20(30)21-26-25-18(31-21)10-6-7-11-28-14-17(24-27-28)19(29)23-13-16-8-4-3-5-9-16;1-2-11-21-19(29)20-25-24-17(30-20)10-6-7-12-27-14-16(23-26-27)18(28)22-13-15-8-4-3-5-9-15/h4-9,12-13,16H,2-3,10-11,14-15H2,1H3,(H,33,40)(H,34,41);5-7,10,13-14H,3-4,8-9,11-12H2,1-2H3,(H,26,34)(H,27,33);6-8,11,13-14H,4-5,9-10,12H2,1-3H3,(H,25,32)(H,26,33);5-7,11,13H,2-4,8-10,12H2,1H3,(H,25,33)(H,26,32);3-5,8-9,14-15H,6-7,10-13H2,1-2H3,(H,22,30)(H,23,29);3-5,8-9,14H,2,6-7,10-13H2,1H3,(H,21,29)(H,22,28)
InChIKeyBXDNPSSHRZAILK-UHFFFAOYSA-N
MW3053.36 g/mol
LogP19.29
Rot. Bonds72

About 5-[4-[4-(benzylcarbamoyl)triazol-1-yl]butyl]-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-(benzylcarbamoyl)triazol-1-yl]butyl]-N-propyl-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4-thiadiazole-2-carboxamide;N-(2-methylpropyl)-5-[4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-propyl-5-[4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide

5-[4-[4-(benzylcarbamoyl)triazol-1-yl]butyl]-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-(benzylcarbamoyl)triazol-1-yl]butyl]-N-propyl-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4-thiadiazole-2-carboxamide;N-(2-methylpropyl)-5-[4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-propyl-5-[4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 157489921) has the molecular formula C133H155F13N42O17S6 and a molecular weight of 3053.36 g/mol. Its IUPAC name is 5-[4-[4-(benzylcarbamoyl)triazol-1-yl]butyl]-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-(benzylcarbamoyl)triazol-1-yl]butyl]-N-propyl-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4-thiadiazole-2-carboxamide;N-(2-methylpropyl)-5-[4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-propyl-5-[4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[4-[4-(benzylcarbamoyl)triazol-1-yl]butyl]-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-(benzylcarbamoyl)triazol-1-yl]butyl]-N-propyl-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4-thiadiazole-2-carboxamide;N-(2-methylpropyl)-5-[4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-propyl-5-[4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID157489921
Molecular FormulaC133H155F13N42O17S6
Molecular Weight3053.36 g/mol
Exact Mass3051.07
IUPAC Name5-[4-[4-(benzylcarbamoyl)triazol-1-yl]butyl]-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-(benzylcarbamoyl)triazol-1-yl]butyl]-N-propyl-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4-thiadiazole-2-carboxamide;N-(2-methylpropyl)-5-[4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-propyl-5-[4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCC(C)CNC(=O)c1nnc(CCCCn2cc(C(=O)NCc3cccc(OC(F)(F)F)c3)nn2)s1.CC(C)CNC(=O)c1nnc(CCCCn2cc(C(=O)NCc3ccccc3)nn2)s1.CC(C)NC(=O)c1nnc(CCCCn2cc(C(=O)NCc3cccc(OC(C)(F)F)c3)nn2)s1.CC(F)(F)Oc1cccc(CNC(=O)c2cn(CCCCc3nnc(C(=O)NCc4cccc(OC(F)(F)F)c4)s3)nn2)c1.CCCNC(=O)c1nnc(CCCCn2cc(C(=O)NCc3cccc(OC(F)(F)F)c3)nn2)s1.CCCNC(=O)c1nnc(CCCCn2cc(C(=O)NCc3ccccc3)nn2)s1
InChIInChI=1S/C27H26F5N7O4S.C22H26F3N7O3S.C22H27F2N7O3S.C21H24F3N7O3S.C21H27N7O2S.C20H25N7O2S/c1-26(28,29)42-19-8-4-6-17(12-19)14-33-23(40)21-16-39(38-35-21)11-3-2-10-22-36-37-25(44-22)24(41)34-15-18-7-5-9-20(13-18)43-27(30,31)32;1-14(2)11-26-20(34)21-30-29-18(36-21)8-3-4-9-32-13-17(28-31-32)19(33)27-12-15-6-5-7-16(10-15)35-22(23,24)25;1-14(2)26-20(33)21-29-28-18(35-21)9-4-5-10-31-13-17(27-30-31)19(32)25-12-15-7-6-8-16(11-15)34-22(3,23)24;1-2-9-25-19(33)20-29-28-17(35-20)8-3-4-10-31-13-16(27-30-31)18(32)26-12-14-6-5-7-15(11-14)34-21(22,23)24;1-15(2)12-22-20(30)21-26-25-18(31-21)10-6-7-11-28-14-17(24-27-28)19(29)23-13-16-8-4-3-5-9-16;1-2-11-21-19(29)20-25-24-17(30-20)10-6-7-12-27-14-16(23-26-27)18(28)22-13-15-8-4-3-5-9-15/h4-9,12-13,16H,2-3,10-11,14-15H2,1H3,(H,33,40)(H,34,41);5-7,10,13-14H,3-4,8-9,11-12H2,1-2H3,(H,26,34)(H,27,33);6-8,11,13-14H,4-5,9-10,12H2,1-3H3,(H,25,32)(H,26,33);5-7,11,13H,2-4,8-10,12H2,1H3,(H,25,33)(H,26,32);3-5,8-9,14-15H,6-7,10-13H2,1-2H3,(H,22,30)(H,23,29);3-5,8-9,14H,2,6-7,10-13H2,1H3,(H,21,29)(H,22,28)
InChIKeyBXDNPSSHRZAILK-UHFFFAOYSA-N
XLogP19.29
TPSA734.29 Ų
H-Bond Donors12
H-Bond Acceptors53
Rotatable Bonds72
Heavy Atoms211
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003053.36
LogP ≤ 519.29
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1053

Computed Properties (RDKit)

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

Analyze 5-[4-[4-(benzylcarbamoyl)triazol-1-yl]butyl]-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-(benzylcarbamoyl)triazol-1-yl]butyl]-N-propyl-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4-thiadiazole-2-carboxamide;N-(2-methylpropyl)-5-[4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-propyl-5-[4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide with MolForge

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Related Compounds

5-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 118653268
N-propyl-5-[4-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide
CID 161084705
3-[[[5-[4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carbonyl]amino]methyl]azetidine-1-carboxylic acid
CID 118640306
N-[(1-acetylazetidin-3-yl)methyl]-5-[4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide
CID 146527233
5-[3-fluoro-4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 118640459
4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl benzoate
CID 118627238
1-(4-aminobutyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide
CID 144992720
N-[[3-(1,1-difluoroethoxy)phenyl]methyl]-5-[3-fluoro-4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide
CID 154982576
5-[4-[amino-[(Z)-2-amino-3-oxo-3-[[3-(trifluoromethoxy)phenyl]methylamino]prop-1-enyl]amino]butyl]-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
CID 146527246
1-[4-[4-(hydroxymethyl)triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide
CID 154982545
1-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide
CID 118640564
2-methylpropyl N-[[1-[4-[4-[[3-(1-fluoro-1-iodoethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]triazol-4-yl]methyl]carbamate
CID 146527248

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(benzylcarbamoyl)triazol-1-yl]butyl]-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-(benzylcarbamoyl)triazol-1-yl]butyl]-N-propyl-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4-thiadiazole-2-carboxamide;N-(2-methylpropyl)-5-[4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-propyl-5-[4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-[4-[4-(benzylcarbamoyl)triazol-1-yl]butyl]-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-(benzylcarbamoyl)triazol-1-yl]butyl]-N-propyl-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4-thiadiazole-2-carboxamide;N-(2-methylpropyl)-5-[4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-propyl-5-[4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide (CID 157489921) is 5-[4-[4-(benzylcarbamoyl)triazol-1-yl]butyl]-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-(benzylcarbamoyl)triazol-1-yl]butyl]-N-propyl-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4-thiadiazole-2-carboxamide;N-(2-methylpropyl)-5-[4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-propyl-5-[4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-[4-[4-(benzylcarbamoyl)triazol-1-yl]butyl]-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-(benzylcarbamoyl)triazol-1-yl]butyl]-N-propyl-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4-thiadiazole-2-carboxamide;N-(2-methylpropyl)-5-[4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-propyl-5-[4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-[4-[4-(benzylcarbamoyl)triazol-1-yl]butyl]-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-(benzylcarbamoyl)triazol-1-yl]butyl]-N-propyl-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4-thiadiazole-2-carboxamide;N-(2-methylpropyl)-5-[4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-propyl-5-[4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide is CC(C)CNC(=O)c1nnc(CCCCn2cc(C(=O)NCc3cccc(OC(F)(F)F)c3)nn2)s1.CC(C)CNC(=O)c1nnc(CCCCn2cc(C(=O)NCc3ccccc3)nn2)s1.CC(C)NC(=O)c1nnc(CCCCn2cc(C(=O)NCc3cccc(OC(C)(F)F)c3)nn2)s1.CC(F)(F)Oc1cccc(CNC(=O)c2cn(CCCCc3nnc(C(=O)NCc4cccc(OC(F)(F)F)c4)s3)nn2)c1.CCCNC(=O)c1nnc(CCCCn2cc(C(=O)NCc3cccc(OC(F)(F)F)c3)nn2)s1.CCCNC(=O)c1nnc(CCCCn2cc(C(=O)NCc3ccccc3)nn2)s1.
What is the InChIKey of 5-[4-[4-(benzylcarbamoyl)triazol-1-yl]butyl]-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-(benzylcarbamoyl)triazol-1-yl]butyl]-N-propyl-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4-thiadiazole-2-carboxamide;N-(2-methylpropyl)-5-[4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-propyl-5-[4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is BXDNPSSHRZAILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F5N7O4S.C22H26F3N7O3S.C22H27F2N7O3S.C21H24F3N7O3S.C21H27N7O2S.C20H25N7O2S/c1-26(28,29)42-19-8-4-6-17(12-19)14-33-23(40)21-16-39(38-35-21)11-3-2-10-22-36-37-25(44-22)24(41)34-15-18-7-5-9-20(13-18)43-27(30,31)32;1-14(2)11-26-20(34)21-30-29-18(36-21)8-3-4-9-32-13-17(28-31-32)19(33)27-12-15-6-5-7-16(10-15)35-22(23,24)25;1-14(2)26-20(33)21-29-28-18(35-21)9-4-5-10-31-13-17(27-30-31)19(32)25-12-15-7-6-8-16(11-15)34-22(3,23)24;1-2-9-25-19(33)20-29-28-17(35-20)8-3-4-10-31-13-16(27-30-31)18(32)26-12-14-6-5-7-15(11-14)34-21(22,23)24;1-15(2)12-22-20(30)21-26-25-18(31-21)10-6-7-11-28-14-17(24-27-28)19(29)23-13-16-8-4-3-5-9-16;1-2-11-21-19(29)20-25-24-17(30-20)10-6-7-12-27-14-16(23-26-27)18(28)22-13-15-8-4-3-5-9-15/h4-9,12-13,16H,2-3,10-11,14-15H2,1H3,(H,33,40)(H,34,41);5-7,10,13-14H,3-4,8-9,11-12H2,1-2H3,(H,26,34)(H,27,33);6-8,11,13-14H,4-5,9-10,12H2,1-3H3,(H,25,32)(H,26,33);5-7,11,13H,2-4,8-10,12H2,1H3,(H,25,33)(H,26,32);3-5,8-9,14-15H,6-7,10-13H2,1-2H3,(H,22,30)(H,23,29);3-5,8-9,14H,2,6-7,10-13H2,1H3,(H,21,29)(H,22,28).
What are the key properties of 5-[4-[4-(benzylcarbamoyl)triazol-1-yl]butyl]-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-(benzylcarbamoyl)triazol-1-yl]butyl]-N-propyl-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4-thiadiazole-2-carboxamide;N-(2-methylpropyl)-5-[4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-propyl-5-[4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide?
5-[4-[4-(benzylcarbamoyl)triazol-1-yl]butyl]-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-(benzylcarbamoyl)triazol-1-yl]butyl]-N-propyl-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4-thiadiazole-2-carboxamide;N-(2-methylpropyl)-5-[4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-propyl-5-[4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 3053.36 g/mol, XLogP of 19.29, 72 rotatable bonds, 12 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(benzylcarbamoyl)triazol-1-yl]butyl]-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-(benzylcarbamoyl)triazol-1-yl]butyl]-N-propyl-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide;5-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4-thiadiazole-2-carboxamide;N-(2-methylpropyl)-5-[4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-propyl-5-[4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 157489921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).