3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-[(3-oxopyrrolidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;methyl N-[5-[1-[5-[[3-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;methyl N-[5-[1-[2-methyl-5-[[3-[(propan-2-ylamino)methyl]-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate

C105H100F12N28O12S4 — CID 159890141

IUPAC3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-[(3-oxopyrrolidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;methyl N-[5-[1-[5-[[3-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;methyl N-[5-[1-[2-methyl-5-[[3-[(propan-2-ylamino)methyl]-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate
SMILESCC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(CN5CCC(=O)C5)cc(C(F)(F)F)c4)ccc3C)nn2)s1.CC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(CN5CCOCC5)cc(C(F)(F)F)c4)ccc3C)nn2)s1.COC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(CN(C)C)cc(C(F)(F)F)c4)ccc3C)nn2)s1.COC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(CNC(C)C)cc(C(F)(F)F)c4)ccc3C)nn2)s1
InChIInChI=1S/C27H26F3N7O3S.C27H24F3N7O3S.C26H26F3N7O3S.C25H24F3N7O3S/c1-16-3-4-19(11-23(16)37-15-22(34-35-37)24-13-31-26(41-24)32-17(2)38)25(39)33-21-10-18(9-20(12-21)27(28,29)30)14-36-5-7-40-8-6-36;1-15-3-4-18(9-23(15)37-14-22(34-35-37)24-11-31-26(41-24)32-16(2)38)25(40)33-20-8-17(7-19(10-20)27(28,29)30)12-36-6-5-21(39)13-36;1-14(2)30-11-16-7-18(26(27,28)29)10-19(8-16)32-23(37)17-6-5-15(3)21(9-17)36-13-20(34-35-36)22-12-31-24(40-22)33-25(38)39-4;1-14-5-6-16(22(36)30-18-8-15(12-34(2)3)7-17(10-18)25(26,27)28)9-20(14)35-13-19(32-33-35)21-11-29-23(39-21)31-24(37)38-4/h3-4,9-13,15H,5-8,14H2,1-2H3,(H,33,39)(H,31,32,38);3-4,7-11,14H,5-6,12-13H2,1-2H3,(H,33,40)(H,31,32,38);5-10,12-14,30H,11H2,1-4H3,(H,32,37)(H,31,33,38);5-11,13H,12H2,1-4H3,(H,30,36)(H,29,31,37)
InChIKeyNUQMTSDGPTVVPZ-UHFFFAOYSA-N
MW2302.38 g/mol
LogP20.32
Rot. Bonds29

About 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-[(3-oxopyrrolidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;methyl N-[5-[1-[5-[[3-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;methyl N-[5-[1-[2-methyl-5-[[3-[(propan-2-ylamino)methyl]-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate

3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-[(3-oxopyrrolidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;methyl N-[5-[1-[5-[[3-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;methyl N-[5-[1-[2-methyl-5-[[3-[(propan-2-ylamino)methyl]-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate (PubChem CID 159890141) has the molecular formula C105H100F12N28O12S4 and a molecular weight of 2302.38 g/mol. Its IUPAC name is 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-[(3-oxopyrrolidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;methyl N-[5-[1-[5-[[3-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;methyl N-[5-[1-[2-methyl-5-[[3-[(propan-2-ylamino)methyl]-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Name3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-[(3-oxopyrrolidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;methyl N-[5-[1-[5-[[3-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;methyl N-[5-[1-[2-methyl-5-[[3-[(propan-2-ylamino)methyl]-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate
PubChem CID159890141
Molecular FormulaC105H100F12N28O12S4
Molecular Weight2302.38 g/mol
Exact Mass2300.68
IUPAC Name3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-[(3-oxopyrrolidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;methyl N-[5-[1-[5-[[3-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;methyl N-[5-[1-[2-methyl-5-[[3-[(propan-2-ylamino)methyl]-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate
SMILESCC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(CN5CCC(=O)C5)cc(C(F)(F)F)c4)ccc3C)nn2)s1.CC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(CN5CCOCC5)cc(C(F)(F)F)c4)ccc3C)nn2)s1.COC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(CN(C)C)cc(C(F)(F)F)c4)ccc3C)nn2)s1.COC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(CNC(C)C)cc(C(F)(F)F)c4)ccc3C)nn2)s1
InChIInChI=1S/C27H26F3N7O3S.C27H24F3N7O3S.C26H26F3N7O3S.C25H24F3N7O3S/c1-16-3-4-19(11-23(16)37-15-22(34-35-37)24-13-31-26(41-24)32-17(2)38)25(39)33-21-10-18(9-20(12-21)27(28,29)30)14-36-5-7-40-8-6-36;1-15-3-4-18(9-23(15)37-14-22(34-35-37)24-11-31-26(41-24)32-16(2)38)25(40)33-20-8-17(7-19(10-20)27(28,29)30)12-36-6-5-21(39)13-36;1-14(2)30-11-16-7-18(26(27,28)29)10-19(8-16)32-23(37)17-6-5-15(3)21(9-17)36-13-20(34-35-36)22-12-31-24(40-22)33-25(38)39-4;1-14-5-6-16(22(36)30-18-8-15(12-34(2)3)7-17(10-18)25(26,27)28)9-20(14)35-13-19(32-33-35)21-11-29-23(39-21)31-24(37)38-4/h3-4,9-13,15H,5-8,14H2,1-2H3,(H,33,39)(H,31,32,38);3-4,7-11,14H,5-6,12-13H2,1-2H3,(H,33,40)(H,31,32,38);5-10,12-14,30H,11H2,1-4H3,(H,32,37)(H,31,33,38);5-11,13H,12H2,1-4H3,(H,30,36)(H,29,31,37)
InChIKeyNUQMTSDGPTVVPZ-UHFFFAOYSA-N
XLogP20.32
TPSA473.71 Ų
H-Bond Donors9
H-Bond Acceptors36
Rotatable Bonds29
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002302.38
LogP ≤ 520.32
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1036

Analyze 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-[(3-oxopyrrolidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;methyl N-[5-[1-[5-[[3-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;methyl N-[5-[1-[2-methyl-5-[[3-[(propan-2-ylamino)methyl]-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate with MolForge

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Related Compounds

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 25170187
Methyl 2-[[5-[1-[2-methyl-5-[[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]amino]acetate
CID 25171421
3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide
CID 58366329
3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-[(3-oxopyrrolidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide
CID 58366464
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-[2-[(2-morpholin-4-ylacetyl)amino]-1,3-thiazol-5-yl]triazol-1-yl]benzamide
CID 58366615
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
CID 58366650
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 58366687
4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-[2-[(2-morpholin-4-ylacetyl)amino]-1,3-thiazol-5-yl]triazol-1-yl]benzamide
CID 58366993
3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-[[methyl(propan-2-yl)amino]methyl]-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(1,3-thiazolidin-3-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide
CID 157286624
N-[5-[1-[2-methyl-5-[2-[3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-2-oxoethyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]acetamide;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;methyl N-[5-[1-[2-methyl-5-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]ethyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate
CID 157407492
N-[3-(2-cyanopropan-2-yl)-5-(4-ethylpiperazin-1-yl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-[2-[[2-(diethylamino)acetyl]amino]-1,3-thiazol-5-yl]triazol-1-yl]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-[2-[(2-morpholin-4-ylacetyl)amino]-1,3-thiazol-5-yl]triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-[2-[(2-pyrrolidin-1-ylacetyl)amino]-1,3-thiazol-5-yl]triazol-1-yl]benzamide
CID 157762911
1-[3-tert-butyl-5-[(dimethylamino)methyl]phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;N-[5-[1-[5-[2-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]-2-oxoethyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]acetamide;methyl N-[5-[1-[5-[2-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]-2-oxoethyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;N-[5-[1-[2-methyl-5-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]ethyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]acetamide
CID 157819885

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-[(3-oxopyrrolidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;methyl N-[5-[1-[5-[[3-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;methyl N-[5-[1-[2-methyl-5-[[3-[(propan-2-ylamino)methyl]-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]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]-4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-[(3-oxopyrrolidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;methyl N-[5-[1-[5-[[3-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;methyl N-[5-[1-[2-methyl-5-[[3-[(propan-2-ylamino)methyl]-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate (CID 159890141) is 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-[(3-oxopyrrolidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;methyl N-[5-[1-[5-[[3-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;methyl N-[5-[1-[2-methyl-5-[[3-[(propan-2-ylamino)methyl]-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]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]-4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-[(3-oxopyrrolidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;methyl N-[5-[1-[5-[[3-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;methyl N-[5-[1-[2-methyl-5-[[3-[(propan-2-ylamino)methyl]-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]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]-4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-[(3-oxopyrrolidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;methyl N-[5-[1-[5-[[3-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;methyl N-[5-[1-[2-methyl-5-[[3-[(propan-2-ylamino)methyl]-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate is CC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(CN5CCC(=O)C5)cc(C(F)(F)F)c4)ccc3C)nn2)s1.CC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(CN5CCOCC5)cc(C(F)(F)F)c4)ccc3C)nn2)s1.COC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(CN(C)C)cc(C(F)(F)F)c4)ccc3C)nn2)s1.COC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(CNC(C)C)cc(C(F)(F)F)c4)ccc3C)nn2)s1.
What is the InChIKey of 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-[(3-oxopyrrolidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;methyl N-[5-[1-[5-[[3-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;methyl N-[5-[1-[2-methyl-5-[[3-[(propan-2-ylamino)methyl]-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate?
The InChIKey is NUQMTSDGPTVVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F3N7O3S.C27H24F3N7O3S.C26H26F3N7O3S.C25H24F3N7O3S/c1-16-3-4-19(11-23(16)37-15-22(34-35-37)24-13-31-26(41-24)32-17(2)38)25(39)33-21-10-18(9-20(12-21)27(28,29)30)14-36-5-7-40-8-6-36;1-15-3-4-18(9-23(15)37-14-22(34-35-37)24-11-31-26(41-24)32-16(2)38)25(40)33-20-8-17(7-19(10-20)27(28,29)30)12-36-6-5-21(39)13-36;1-14(2)30-11-16-7-18(26(27,28)29)10-19(8-16)32-23(37)17-6-5-15(3)21(9-17)36-13-20(34-35-36)22-12-31-24(40-22)33-25(38)39-4;1-14-5-6-16(22(36)30-18-8-15(12-34(2)3)7-17(10-18)25(26,27)28)9-20(14)35-13-19(32-33-35)21-11-29-23(39-21)31-24(37)38-4/h3-4,9-13,15H,5-8,14H2,1-2H3,(H,33,39)(H,31,32,38);3-4,7-11,14H,5-6,12-13H2,1-2H3,(H,33,40)(H,31,32,38);5-10,12-14,30H,11H2,1-4H3,(H,32,37)(H,31,33,38);5-11,13H,12H2,1-4H3,(H,30,36)(H,29,31,37).
What are the key properties of 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-[(3-oxopyrrolidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;methyl N-[5-[1-[5-[[3-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;methyl N-[5-[1-[2-methyl-5-[[3-[(propan-2-ylamino)methyl]-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate?
3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-[(3-oxopyrrolidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;methyl N-[5-[1-[5-[[3-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;methyl N-[5-[1-[2-methyl-5-[[3-[(propan-2-ylamino)methyl]-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 2302.38 g/mol, XLogP of 20.32, 29 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]-4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-[(3-oxopyrrolidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;methyl N-[5-[1-[5-[[3-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;methyl N-[5-[1-[2-methyl-5-[[3-[(propan-2-ylamino)methyl]-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 159890141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).