3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-[3-(dimethylamino)propyl]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-[2-methoxyethyl(methyl)amino]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-(3-methoxypropyl)-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;methyl N-[5-[1-[5-[[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate

C164H170F18N40O15S2 — CID 159517443

IUPAC3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-[3-(dimethylamino)propyl]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-[2-methoxyethyl(methyl)amino]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-(3-methoxypropyl)-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;methyl N-[5-[1-[5-[[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate
SMILESCC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4ccc(N(C)CCN(C)C)c(C(F)(F)F)c4)ccc3C)nn2)s1.COC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4ccc(N(C)CCN(C)C)c(C(F)(F)F)c4)ccc3C)nn2)s1.COCCCc1ccc(NC(=O)c2ccc(C)c(-n3cc(-c4cncc(OC)c4)nn3)c2)cc1C(F)(F)F.COCCN(C)c1ccc(NC(=O)c2ccc(C)c(-n3cc(-c4cncc(OC)c4)nn3)c2)cc1C(F)(F)F.COc1cncc(-c2cn(-c3cc(C(=O)Nc4ccc(CCCN(C)C)c(C(F)(F)F)c4)ccc3C)nn2)c1.COc1cncc(-c2cn(-c3cc(C(=O)Nc4ccc(N(C)CCN(C)C)c(C(F)(F)F)c4)ccc3C)nn2)c1
InChIInChI=1S/C28H30F3N7O2.C28H29F3N6O2.C27H29F3N8O3S.C27H29F3N8O2S.C27H27F3N6O3.C27H26F3N5O3/c1-18-6-7-19(13-26(18)38-17-24(34-35-38)20-12-22(40-5)16-32-15-20)27(39)33-21-8-9-25(23(14-21)28(29,30)31)37(4)11-10-36(2)3;1-18-7-8-20(13-26(18)37-17-25(34-35-37)21-12-23(39-4)16-32-15-21)27(38)33-22-10-9-19(6-5-11-36(2)3)24(14-22)28(29,30)31;1-16-6-7-17(12-22(16)38-15-20(34-35-38)23-14-31-25(42-23)33-26(40)41-5)24(39)32-18-8-9-21(19(13-18)27(28,29)30)37(4)11-10-36(2)3;1-16-6-7-18(12-23(16)38-15-21(34-35-38)24-14-31-26(41-24)32-17(2)39)25(40)33-19-8-9-22(20(13-19)27(28,29)30)37(5)11-10-36(3)4;1-17-5-6-18(12-25(17)36-16-23(33-34-36)19-11-21(39-4)15-31-14-19)26(37)32-20-7-8-24(35(2)9-10-38-3)22(13-20)27(28,29)30;1-17-6-7-19(12-25(17)35-16-24(33-34-35)20-11-22(38-3)15-31-14-20)26(36)32-21-9-8-18(5-4-10-37-2)23(13-21)27(28,29)30/h6-9,12-17H,10-11H2,1-5H3,(H,33,39);7-10,12-17H,5-6,11H2,1-4H3,(H,33,38);6-9,12-15H,10-11H2,1-5H3,(H,32,39)(H,31,33,40);6-9,12-15H,10-11H2,1-5H3,(H,33,40)(H,31,32,39);5-8,11-16H,9-10H2,1-4H3,(H,32,37);6-9,11-16H,4-5,10H2,1-3H3,(H,32,36)
InChIKeyMBJQAZXWONZSJO-UHFFFAOYSA-N
MW3347.53 g/mol
LogP30.90
Rot. Bonds54

About 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-[3-(dimethylamino)propyl]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-[2-methoxyethyl(methyl)amino]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-(3-methoxypropyl)-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;methyl N-[5-[1-[5-[[4-[2-(dimethylamino)ethyl-methylamino]-3-(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-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-[3-(dimethylamino)propyl]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-[2-methoxyethyl(methyl)amino]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-(3-methoxypropyl)-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;methyl N-[5-[1-[5-[[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate (PubChem CID 159517443) has the molecular formula C164H170F18N40O15S2 and a molecular weight of 3347.53 g/mol. Its IUPAC name is 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-[3-(dimethylamino)propyl]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-[2-methoxyethyl(methyl)amino]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-(3-methoxypropyl)-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;methyl N-[5-[1-[5-[[4-[2-(dimethylamino)ethyl-methylamino]-3-(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-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-[3-(dimethylamino)propyl]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-[2-methoxyethyl(methyl)amino]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-(3-methoxypropyl)-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;methyl N-[5-[1-[5-[[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate
PubChem CID159517443
Molecular FormulaC164H170F18N40O15S2
Molecular Weight3347.53 g/mol
Exact Mass3345.29
IUPAC Name3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-[3-(dimethylamino)propyl]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-[2-methoxyethyl(methyl)amino]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-(3-methoxypropyl)-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;methyl N-[5-[1-[5-[[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate
SMILESCC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4ccc(N(C)CCN(C)C)c(C(F)(F)F)c4)ccc3C)nn2)s1.COC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4ccc(N(C)CCN(C)C)c(C(F)(F)F)c4)ccc3C)nn2)s1.COCCCc1ccc(NC(=O)c2ccc(C)c(-n3cc(-c4cncc(OC)c4)nn3)c2)cc1C(F)(F)F.COCCN(C)c1ccc(NC(=O)c2ccc(C)c(-n3cc(-c4cncc(OC)c4)nn3)c2)cc1C(F)(F)F.COc1cncc(-c2cn(-c3cc(C(=O)Nc4ccc(CCCN(C)C)c(C(F)(F)F)c4)ccc3C)nn2)c1.COc1cncc(-c2cn(-c3cc(C(=O)Nc4ccc(N(C)CCN(C)C)c(C(F)(F)F)c4)ccc3C)nn2)c1
InChIInChI=1S/C28H30F3N7O2.C28H29F3N6O2.C27H29F3N8O3S.C27H29F3N8O2S.C27H27F3N6O3.C27H26F3N5O3/c1-18-6-7-19(13-26(18)38-17-24(34-35-38)20-12-22(40-5)16-32-15-20)27(39)33-21-8-9-25(23(14-21)28(29,30)31)37(4)11-10-36(2)3;1-18-7-8-20(13-26(18)37-17-25(34-35-37)21-12-23(39-4)16-32-15-21)27(38)33-22-10-9-19(6-5-11-36(2)3)24(14-22)28(29,30)31;1-16-6-7-17(12-22(16)38-15-20(34-35-38)23-14-31-25(42-23)33-26(40)41-5)24(39)32-18-8-9-21(19(13-18)27(28,29)30)37(4)11-10-36(2)3;1-16-6-7-18(12-23(16)38-15-21(34-35-38)24-14-31-26(41-24)32-17(2)39)25(40)33-19-8-9-22(20(13-19)27(28,29)30)37(5)11-10-36(3)4;1-17-5-6-18(12-25(17)36-16-23(33-34-36)19-11-21(39-4)15-31-14-19)26(37)32-20-7-8-24(35(2)9-10-38-3)22(13-20)27(28,29)30;1-17-6-7-19(12-25(17)35-16-24(33-34-35)20-11-22(38-3)15-31-14-20)26(36)32-21-9-8-18(5-4-10-37-2)23(13-21)27(28,29)30/h6-9,12-17H,10-11H2,1-5H3,(H,33,39);7-10,12-17H,5-6,11H2,1-4H3,(H,33,38);6-9,12-15H,10-11H2,1-5H3,(H,32,39)(H,31,33,40);6-9,12-15H,10-11H2,1-5H3,(H,33,40)(H,31,32,39);5-8,11-16H,9-10H2,1-4H3,(H,32,37);6-9,11-16H,4-5,10H2,1-3H3,(H,32,36)
InChIKeyMBJQAZXWONZSJO-UHFFFAOYSA-N
XLogP30.90
TPSA584.93 Ų
H-Bond Donors8
H-Bond Acceptors49
Rotatable Bonds54
Heavy Atoms239
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003347.53
LogP ≤ 530.90
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-[3-(dimethylamino)propyl]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-[2-methoxyethyl(methyl)amino]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-(3-methoxypropyl)-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;methyl N-[5-[1-[5-[[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[5-[1-[2-[2-[5-[1-[5-[[3-[(dimethylamino)methyl]-5-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]triazol-4-yl]pyridin-3-yl]oxyethyl]-5-[[3-[(propan-2-ylamino)methyl]-5-(trifluoromethyl)benzoyl]amino]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate
CID 145542802
3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-[(dimethylamino)methyl]-4-methoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-(3,3-dimethylbutyl)-4-methyl-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[4-methyl-3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;N-[3-(3,3-dimethylbutyl)-4-methyl-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[4-methyl-3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide
CID 157074548
1-[3-tert-butyl-5-(3-methylbutyl)phenyl]-2-[3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylphenyl]ethanone;N-[5-[1-[5-[2-[3-tert-butyl-5-(3-methylbutyl)phenyl]-2-oxoethyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]acetamide;1-[3-tert-butyl-5-(pyrrolidin-1-ylmethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;2-[3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylphenyl]-1-[3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]ethanone;2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]-1-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]ethanone
CID 157079874
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
2-[3-[4-(1,5-Dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethoxy)phenyl]ethanone;2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[4-methyl-3-[4-[2-(methylamino)-1,3-thiazol-5-yl]triazol-1-yl]phenyl]-1-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[4-methyl-3-[4-[2-(methylamino)-1,3-thiazol-5-yl]triazol-1-yl]phenyl]-1-[3-[methyl(2-pyrrolidin-1-ylethyl)amino]-5-(trifluoromethyl)phenyl]ethanone;2-[4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]phenyl]-1-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]ethanone
CID 158341120
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
1-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]-2-[3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylphenyl]ethanone;1-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;1-[3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;methyl N-[5-[1-[2-methyl-5-[2-[3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-2-oxoethyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate
CID 158761299
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
N-[3-(3,3-dimethylbutyl)-4-methyl-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[3-[(3-fluoropyrrolidin-1-yl)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-[2-(methylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide;3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methyl-N-[4-methyl-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methyl-N-[4-methyl-3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;N-[2-methoxy-3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-[2-(methylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide
CID 159128488
N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-[2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide;N-[3-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-methoxy-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide
CID 159337183
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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-[3-(dimethylamino)propyl]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-[2-methoxyethyl(methyl)amino]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-(3-methoxypropyl)-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;methyl N-[5-[1-[5-[[4-[2-(dimethylamino)ethyl-methylamino]-3-(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-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-[3-(dimethylamino)propyl]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-[2-methoxyethyl(methyl)amino]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-(3-methoxypropyl)-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;methyl N-[5-[1-[5-[[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate (CID 159517443) is 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-[3-(dimethylamino)propyl]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-[2-methoxyethyl(methyl)amino]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-(3-methoxypropyl)-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;methyl N-[5-[1-[5-[[4-[2-(dimethylamino)ethyl-methylamino]-3-(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-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-[3-(dimethylamino)propyl]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-[2-methoxyethyl(methyl)amino]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-(3-methoxypropyl)-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;methyl N-[5-[1-[5-[[4-[2-(dimethylamino)ethyl-methylamino]-3-(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-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-[3-(dimethylamino)propyl]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-[2-methoxyethyl(methyl)amino]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-(3-methoxypropyl)-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;methyl N-[5-[1-[5-[[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate is CC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4ccc(N(C)CCN(C)C)c(C(F)(F)F)c4)ccc3C)nn2)s1.COC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4ccc(N(C)CCN(C)C)c(C(F)(F)F)c4)ccc3C)nn2)s1.COCCCc1ccc(NC(=O)c2ccc(C)c(-n3cc(-c4cncc(OC)c4)nn3)c2)cc1C(F)(F)F.COCCN(C)c1ccc(NC(=O)c2ccc(C)c(-n3cc(-c4cncc(OC)c4)nn3)c2)cc1C(F)(F)F.COc1cncc(-c2cn(-c3cc(C(=O)Nc4ccc(CCCN(C)C)c(C(F)(F)F)c4)ccc3C)nn2)c1.COc1cncc(-c2cn(-c3cc(C(=O)Nc4ccc(N(C)CCN(C)C)c(C(F)(F)F)c4)ccc3C)nn2)c1.
What is the InChIKey of 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-[3-(dimethylamino)propyl]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-[2-methoxyethyl(methyl)amino]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-(3-methoxypropyl)-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;methyl N-[5-[1-[5-[[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate?
The InChIKey is MBJQAZXWONZSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F3N7O2.C28H29F3N6O2.C27H29F3N8O3S.C27H29F3N8O2S.C27H27F3N6O3.C27H26F3N5O3/c1-18-6-7-19(13-26(18)38-17-24(34-35-38)20-12-22(40-5)16-32-15-20)27(39)33-21-8-9-25(23(14-21)28(29,30)31)37(4)11-10-36(2)3;1-18-7-8-20(13-26(18)37-17-25(34-35-37)21-12-23(39-4)16-32-15-21)27(38)33-22-10-9-19(6-5-11-36(2)3)24(14-22)28(29,30)31;1-16-6-7-17(12-22(16)38-15-20(34-35-38)23-14-31-25(42-23)33-26(40)41-5)24(39)32-18-8-9-21(19(13-18)27(28,29)30)37(4)11-10-36(2)3;1-16-6-7-18(12-23(16)38-15-21(34-35-38)24-14-31-26(41-24)32-17(2)39)25(40)33-19-8-9-22(20(13-19)27(28,29)30)37(5)11-10-36(3)4;1-17-5-6-18(12-25(17)36-16-23(33-34-36)19-11-21(39-4)15-31-14-19)26(37)32-20-7-8-24(35(2)9-10-38-3)22(13-20)27(28,29)30;1-17-6-7-19(12-25(17)35-16-24(33-34-35)20-11-22(38-3)15-31-14-20)26(36)32-21-9-8-18(5-4-10-37-2)23(13-21)27(28,29)30/h6-9,12-17H,10-11H2,1-5H3,(H,33,39);7-10,12-17H,5-6,11H2,1-4H3,(H,33,38);6-9,12-15H,10-11H2,1-5H3,(H,32,39)(H,31,33,40);6-9,12-15H,10-11H2,1-5H3,(H,33,40)(H,31,32,39);5-8,11-16H,9-10H2,1-4H3,(H,32,37);6-9,11-16H,4-5,10H2,1-3H3,(H,32,36).
What are the key properties of 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-[3-(dimethylamino)propyl]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-[2-methoxyethyl(methyl)amino]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-(3-methoxypropyl)-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;methyl N-[5-[1-[5-[[4-[2-(dimethylamino)ethyl-methylamino]-3-(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-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-[3-(dimethylamino)propyl]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-[2-methoxyethyl(methyl)amino]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-(3-methoxypropyl)-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;methyl N-[5-[1-[5-[[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 3347.53 g/mol, XLogP of 30.90, 54 rotatable bonds, 8 hydrogen bond donors, and 49 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-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-[3-(dimethylamino)propyl]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-[2-methoxyethyl(methyl)amino]-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[4-(3-methoxypropyl)-3-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;methyl N-[5-[1-[5-[[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 159517443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).