3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[2-methoxy-3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;methyl N-[5-[1-[5-[[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate

C137H133Cl3F15N31O10S3 — CID 162169897

IUPAC3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[2-methoxy-3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;methyl N-[5-[1-[5-[[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate
SMILESCC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(CCC(C)C)c(Cl)c(C(F)(F)F)c4)ccc3C)nn2)s1.COC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(CCC(C)C)c(Cl)c(C(F)(F)F)c4)ccc3C)nn2)s1.COc1c(CCC(C)C)cc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(-n2cc(-c3cnc(N)s3)nn2)c1.COc1c(CN2CCCCC2)cc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(-n2cc(-c3cnc4[nH]ccc4c3)nn2)c1.Cc1ccc(C(=O)Nc2cc(CCC(C)C)c(Cl)c(C(F)(F)F)c2)cc1-n1cc(-c2cncnc2)nn1
InChIInChI=1S/C31H30F3N7O2.C27H26ClF3N6O3S.C27H26ClF3N6O2S.C26H24ClF3N6O.C26H27F3N6O2S/c1-19-6-7-21(14-27(19)41-18-26(38-39-41)22-12-20-8-9-35-29(20)36-16-22)30(42)37-25-15-24(31(32,33)34)13-23(28(25)43-2)17-40-10-4-3-5-11-40;1-14(2)5-7-16-9-18(11-19(23(16)28)27(29,30)31)33-24(38)17-8-6-15(3)21(10-17)37-13-20(35-36-37)22-12-32-25(41-22)34-26(39)40-4;1-14(2)5-7-17-9-19(11-20(24(17)28)27(29,30)31)34-25(39)18-8-6-15(3)22(10-18)37-13-21(35-36-37)23-12-32-26(40-23)33-16(4)38;1-15(2)4-6-17-8-20(10-21(24(17)27)26(28,29)30)33-25(37)18-7-5-16(3)23(9-18)36-13-22(34-35-36)19-11-31-14-32-12-19;1-14(2)5-7-16-9-18(26(27,28)29)11-19(23(16)37-4)32-24(36)17-8-6-15(3)21(10-17)35-13-20(33-34-35)22-12-31-25(30)38-22/h6-9,12-16,18H,3-5,10-11,17H2,1-2H3,(H,35,36)(H,37,42);6,8-14H,5,7H2,1-4H3,(H,33,38)(H,32,34,39);6,8-14H,5,7H2,1-4H3,(H,34,39)(H,32,33,38);5,7-15H,4,6H2,1-3H3,(H,33,37);6,8-14H,5,7H2,1-4H3,(H2,30,31)(H,32,36)
InChIKeyZNQLZDJQIUWXRJ-UHFFFAOYSA-N
MW2861.31 g/mol
LogP33.64
Rot. Bonds38

About 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[2-methoxy-3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;methyl N-[5-[1-[5-[[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate

3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[2-methoxy-3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;methyl N-[5-[1-[5-[[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate (PubChem CID 162169897) has the molecular formula C137H133Cl3F15N31O10S3 and a molecular weight of 2861.31 g/mol. Its IUPAC name is 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[2-methoxy-3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;methyl N-[5-[1-[5-[[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Name3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[2-methoxy-3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;methyl N-[5-[1-[5-[[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate
PubChem CID162169897
Molecular FormulaC137H133Cl3F15N31O10S3
Molecular Weight2861.31 g/mol
Exact Mass2857.88
IUPAC Name3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[2-methoxy-3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;methyl N-[5-[1-[5-[[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate
SMILESCC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(CCC(C)C)c(Cl)c(C(F)(F)F)c4)ccc3C)nn2)s1.COC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(CCC(C)C)c(Cl)c(C(F)(F)F)c4)ccc3C)nn2)s1.COc1c(CCC(C)C)cc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(-n2cc(-c3cnc(N)s3)nn2)c1.COc1c(CN2CCCCC2)cc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(-n2cc(-c3cnc4[nH]ccc4c3)nn2)c1.Cc1ccc(C(=O)Nc2cc(CCC(C)C)c(Cl)c(C(F)(F)F)c2)cc1-n1cc(-c2cncnc2)nn1
InChIInChI=1S/C31H30F3N7O2.C27H26ClF3N6O3S.C27H26ClF3N6O2S.C26H24ClF3N6O.C26H27F3N6O2S/c1-19-6-7-21(14-27(19)41-18-26(38-39-41)22-12-20-8-9-35-29(20)36-16-22)30(42)37-25-15-24(31(32,33)34)13-23(28(25)43-2)17-40-10-4-3-5-11-40;1-14(2)5-7-16-9-18(11-19(23(16)28)27(29,30)31)33-24(38)17-8-6-15(3)21(10-17)37-13-20(35-36-37)22-12-32-25(41-22)34-26(39)40-4;1-14(2)5-7-17-9-19(11-20(24(17)28)27(29,30)31)34-25(39)18-8-6-15(3)22(10-18)37-13-21(35-36-37)23-12-32-26(40-23)33-16(4)38;1-15(2)4-6-17-8-20(10-21(24(17)27)26(28,29)30)33-25(37)18-7-5-16(3)23(9-18)36-13-22(34-35-36)19-11-31-14-32-12-19;1-14(2)5-7-16-9-18(26(27,28)29)11-19(23(16)37-4)32-24(36)17-8-6-15(3)21(10-17)35-13-20(33-34-35)22-12-31-25(30)38-22/h6-9,12-16,18H,3-5,10-11,17H2,1-2H3,(H,35,36)(H,37,42);6,8-14H,5,7H2,1-4H3,(H,33,38)(H,32,34,39);6,8-14H,5,7H2,1-4H3,(H,34,39)(H,32,33,38);5,7-15H,4,6H2,1-3H3,(H,33,37);6,8-14H,5,7H2,1-4H3,(H2,30,31)(H,32,36)
InChIKeyZNQLZDJQIUWXRJ-UHFFFAOYSA-N
XLogP33.64
TPSA507.33 Ų
H-Bond Donors9
H-Bond Acceptors36
Rotatable Bonds38
Heavy Atoms199
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002861.31
LogP ≤ 533.64
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1036

Analyze 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[2-methoxy-3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;methyl N-[5-[1-[5-[[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate with MolForge

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Related Compounds

3-[4-(6-acetamido-3-pyridinyl)triazol-1-yl]-N-[3-(3,3-dimethylbutyl)-2-methoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(6-acetamido-3-pyridinyl)triazol-1-yl]-N-[3-[(3-fluoropyrrolidin-1-yl)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(6-acetamido-3-pyridinyl)triazol-1-yl]-N-[2-methoxy-3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-(3,3-dimethylbutyl)-2-methoxy-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-[2-(methylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide;N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-[2-(methylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide
CID 157995985
3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[4-methyl-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[4-methyl-3-(4-methylpentyl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[4-methyl-3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;methyl N-[5-[1-[5-[[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1-methylimidazol-2-yl]carbamate
CID 158440434
3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-(azetidin-1-ylmethyl)-4-methoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-methoxy-3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;methyl N-[5-[1-[5-[[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate
CID 158475160
3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;N-[3-[[tert-butyl(methyl)amino]methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[[tert-butyl(methyl)amino]methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[3-(3,3-dimethylbutyl)-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(3,3-dimethylbutyl)-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide
CID 158835387
3-[4-(6-acetamido-3-pyridinyl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[2-methoxy-3-[[2-methoxyethyl(methyl)amino]methyl]-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;N-[2-methoxy-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;4-methyl-3-[4-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]triazol-1-yl]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide
CID 159391843
N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-[2-(2-oxopropyl)pyrimidin-5-yl]triazol-1-yl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-methoxy-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;methyl N-[5-[1-[5-[[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;4-methyl-3-[4-[2-(methylamino)-1,3-thiazol-5-yl]triazol-1-yl]-N-[3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate
CID 159801801
3-[4-(2-acetamidopyrimidin-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(5-cyano-3-pyridinyl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-(4,4-dimethylpentyl)-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;methyl 2-[[5-[1-[2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]amino]acetate
CID 159980606
3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;methyl N-[5-[1-[2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate
CID 160702874
3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;N-[5-tert-butyl-2-methoxy-3-[methyl(prop-2-enyl)amino]phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[4-chloro-3-[2-(dimethylamino)ethylamino]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[4-chloro-3-[3-(dimethylamino)propyl-methylamino]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[4-chloro-3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide
CID 161166331

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[2-methoxy-3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;methyl N-[5-[1-[5-[[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate?
The IUPAC name of 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[2-methoxy-3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;methyl N-[5-[1-[5-[[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate (CID 162169897) is 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[2-methoxy-3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;methyl N-[5-[1-[5-[[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[2-methoxy-3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;methyl N-[5-[1-[5-[[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[2-methoxy-3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;methyl N-[5-[1-[5-[[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate is CC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(CCC(C)C)c(Cl)c(C(F)(F)F)c4)ccc3C)nn2)s1.COC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(CCC(C)C)c(Cl)c(C(F)(F)F)c4)ccc3C)nn2)s1.COc1c(CCC(C)C)cc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(-n2cc(-c3cnc(N)s3)nn2)c1.COc1c(CN2CCCCC2)cc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(-n2cc(-c3cnc4[nH]ccc4c3)nn2)c1.Cc1ccc(C(=O)Nc2cc(CCC(C)C)c(Cl)c(C(F)(F)F)c2)cc1-n1cc(-c2cncnc2)nn1.
What is the InChIKey of 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[2-methoxy-3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;methyl N-[5-[1-[5-[[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate?
The InChIKey is ZNQLZDJQIUWXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30F3N7O2.C27H26ClF3N6O3S.C27H26ClF3N6O2S.C26H24ClF3N6O.C26H27F3N6O2S/c1-19-6-7-21(14-27(19)41-18-26(38-39-41)22-12-20-8-9-35-29(20)36-16-22)30(42)37-25-15-24(31(32,33)34)13-23(28(25)43-2)17-40-10-4-3-5-11-40;1-14(2)5-7-16-9-18(11-19(23(16)28)27(29,30)31)33-24(38)17-8-6-15(3)21(10-17)37-13-20(35-36-37)22-12-32-25(41-22)34-26(39)40-4;1-14(2)5-7-17-9-19(11-20(24(17)28)27(29,30)31)34-25(39)18-8-6-15(3)22(10-18)37-13-21(35-36-37)23-12-32-26(40-23)33-16(4)38;1-15(2)4-6-17-8-20(10-21(24(17)27)26(28,29)30)33-25(37)18-7-5-16(3)23(9-18)36-13-22(34-35-36)19-11-31-14-32-12-19;1-14(2)5-7-16-9-18(26(27,28)29)11-19(23(16)37-4)32-24(36)17-8-6-15(3)21(10-17)35-13-20(33-34-35)22-12-31-25(30)38-22/h6-9,12-16,18H,3-5,10-11,17H2,1-2H3,(H,35,36)(H,37,42);6,8-14H,5,7H2,1-4H3,(H,33,38)(H,32,34,39);6,8-14H,5,7H2,1-4H3,(H,34,39)(H,32,33,38);5,7-15H,4,6H2,1-3H3,(H,33,37);6,8-14H,5,7H2,1-4H3,(H2,30,31)(H,32,36).
What are the key properties of 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[2-methoxy-3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;methyl N-[5-[1-[5-[[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate?
3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[2-methoxy-3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;methyl N-[5-[1-[5-[[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 2861.31 g/mol, XLogP of 33.64, 38 rotatable bonds, 9 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[2-methoxy-3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;methyl N-[5-[1-[5-[[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 162169897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).