5-[2-[4-butoxy-N-carbamoyl-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-(cyclohexylmethoxy)-3-fluoroanilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-[methyl(pentyl)amino]-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-(2-methylpropoxy)-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-[4-[methyl(pentyl)amino]-3-(trifluoromethyl)phenyl]urea;1-(3-fluoro-4-pentoxyphenyl)-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;1-(4-hexoxyphenyl)-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea

C162H165F16N29O24S7 — CID 159725694

IUPAC5-[2-[4-butoxy-N-carbamoyl-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-(cyclohexylmethoxy)-3-fluoroanilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-[methyl(pentyl)amino]-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-(2-methylpropoxy)-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-[4-[methyl(pentyl)amino]-3-(trifluoromethyl)phenyl]urea;1-(3-fluoro-4-pentoxyphenyl)-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;1-(4-hexoxyphenyl)-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea
SMILESCC(C)COc1ccc(N(C(N)=O)c2nc(-c3ccc(O)c(C(N)=O)c3)cs2)cc1C(F)(F)F.CCCCCCOc1ccc(N(C(N)=O)c2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1.CCCCCN(C)c1ccc(N(C(N)=O)c2nc(-c3ccc(F)c(F)c3)cs2)cc1C(F)(F)F.CCCCCN(C)c1ccc(N(C(N)=O)c2nc(-c3ccc(O)c(C(N)=O)c3)cs2)cc1C(F)(F)F.CCCCCOc1ccc(N(C(N)=O)c2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1F.CCCCOc1ccc(N(C(N)=O)c2nc(-c3ccc(O)c(C(N)=O)c3)cs2)cc1C(F)(F)F.NC(=O)c1cc(-c2csc(N(C(N)=O)c3ccc(OCC4CCCCC4)c(F)c3)n2)ccc1O
InChIInChI=1S/C24H26F3N5O3S.C24H25FN4O4S.C24H26N4O4S.C23H23F5N4OS.C23H23FN4O4S.2C22H21F3N4O4S/c1-3-4-5-10-31(2)19-8-7-15(12-17(19)24(25,26)27)32(22(29)35)23-30-18(13-36-23)14-6-9-20(33)16(11-14)21(28)34;25-18-11-16(7-9-21(18)33-12-14-4-2-1-3-5-14)29(23(27)32)24-28-19(13-34-24)15-6-8-20(30)17(10-15)22(26)31;1-2-3-4-5-12-31-18-9-7-17(8-10-18)28(23(25)30)24-27-20(15-33-24)16-6-11-21-19(13-16)26-22(29)14-32-21;1-3-4-5-10-31(2)20-9-7-15(12-16(20)23(26,27)28)32(21(29)33)22-30-19(13-34-22)14-6-8-17(24)18(25)11-14;1-2-3-4-9-31-19-8-6-15(11-16(19)24)28(22(25)30)23-27-18(13-33-23)14-5-7-20-17(10-14)26-21(29)12-32-20;1-11(2)9-33-18-6-4-13(8-15(18)22(23,24)25)29(20(27)32)21-28-16(10-34-21)12-3-5-17(30)14(7-12)19(26)31;1-2-3-8-33-18-7-5-13(10-15(18)22(23,24)25)29(20(27)32)21-28-16(11-34-21)12-4-6-17(30)14(9-12)19(26)31/h6-9,11-13,33H,3-5,10H2,1-2H3,(H2,28,34)(H2,29,35);6-11,13-14,30H,1-5,12H2,(H2,26,31)(H2,27,32);6-11,13,15H,2-5,12,14H2,1H3,(H2,25,30)(H,26,29);6-9,11-13H,3-5,10H2,1-2H3,(H2,29,33);5-8,10-11,13H,2-4,9,12H2,1H3,(H2,25,30)(H,26,29);3-8,10-11,30H,9H2,1-2H3,(H2,26,31)(H2,27,32);4-7,9-11,30H,2-3,8H2,1H3,(H2,26,31)(H2,27,32)
InChIKeyNAPHIJJIESSVBI-UHFFFAOYSA-N
MW3430.72 g/mol
LogP37.65
Rot. Bonds56

About 5-[2-[4-butoxy-N-carbamoyl-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-(cyclohexylmethoxy)-3-fluoroanilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-[methyl(pentyl)amino]-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-(2-methylpropoxy)-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-[4-[methyl(pentyl)amino]-3-(trifluoromethyl)phenyl]urea;1-(3-fluoro-4-pentoxyphenyl)-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;1-(4-hexoxyphenyl)-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea

5-[2-[4-butoxy-N-carbamoyl-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-(cyclohexylmethoxy)-3-fluoroanilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-[methyl(pentyl)amino]-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-(2-methylpropoxy)-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-[4-[methyl(pentyl)amino]-3-(trifluoromethyl)phenyl]urea;1-(3-fluoro-4-pentoxyphenyl)-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;1-(4-hexoxyphenyl)-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea (PubChem CID 159725694) has the molecular formula C162H165F16N29O24S7 and a molecular weight of 3430.72 g/mol. Its IUPAC name is 5-[2-[4-butoxy-N-carbamoyl-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-(cyclohexylmethoxy)-3-fluoroanilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-[methyl(pentyl)amino]-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-(2-methylpropoxy)-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-[4-[methyl(pentyl)amino]-3-(trifluoromethyl)phenyl]urea;1-(3-fluoro-4-pentoxyphenyl)-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;1-(4-hexoxyphenyl)-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name5-[2-[4-butoxy-N-carbamoyl-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-(cyclohexylmethoxy)-3-fluoroanilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-[methyl(pentyl)amino]-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-(2-methylpropoxy)-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-[4-[methyl(pentyl)amino]-3-(trifluoromethyl)phenyl]urea;1-(3-fluoro-4-pentoxyphenyl)-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;1-(4-hexoxyphenyl)-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea
PubChem CID159725694
Molecular FormulaC162H165F16N29O24S7
Molecular Weight3430.72 g/mol
Exact Mass3428.04
IUPAC Name5-[2-[4-butoxy-N-carbamoyl-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-(cyclohexylmethoxy)-3-fluoroanilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-[methyl(pentyl)amino]-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-(2-methylpropoxy)-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-[4-[methyl(pentyl)amino]-3-(trifluoromethyl)phenyl]urea;1-(3-fluoro-4-pentoxyphenyl)-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;1-(4-hexoxyphenyl)-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea
SMILESCC(C)COc1ccc(N(C(N)=O)c2nc(-c3ccc(O)c(C(N)=O)c3)cs2)cc1C(F)(F)F.CCCCCCOc1ccc(N(C(N)=O)c2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1.CCCCCN(C)c1ccc(N(C(N)=O)c2nc(-c3ccc(F)c(F)c3)cs2)cc1C(F)(F)F.CCCCCN(C)c1ccc(N(C(N)=O)c2nc(-c3ccc(O)c(C(N)=O)c3)cs2)cc1C(F)(F)F.CCCCCOc1ccc(N(C(N)=O)c2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1F.CCCCOc1ccc(N(C(N)=O)c2nc(-c3ccc(O)c(C(N)=O)c3)cs2)cc1C(F)(F)F.NC(=O)c1cc(-c2csc(N(C(N)=O)c3ccc(OCC4CCCCC4)c(F)c3)n2)ccc1O
InChIInChI=1S/C24H26F3N5O3S.C24H25FN4O4S.C24H26N4O4S.C23H23F5N4OS.C23H23FN4O4S.2C22H21F3N4O4S/c1-3-4-5-10-31(2)19-8-7-15(12-17(19)24(25,26)27)32(22(29)35)23-30-18(13-36-23)14-6-9-20(33)16(11-14)21(28)34;25-18-11-16(7-9-21(18)33-12-14-4-2-1-3-5-14)29(23(27)32)24-28-19(13-34-24)15-6-8-20(30)17(10-15)22(26)31;1-2-3-4-5-12-31-18-9-7-17(8-10-18)28(23(25)30)24-27-20(15-33-24)16-6-11-21-19(13-16)26-22(29)14-32-21;1-3-4-5-10-31(2)20-9-7-15(12-16(20)23(26,27)28)32(21(29)33)22-30-19(13-34-22)14-6-8-17(24)18(25)11-14;1-2-3-4-9-31-19-8-6-15(11-16(19)24)28(22(25)30)23-27-18(13-33-23)14-5-7-20-17(10-14)26-21(29)12-32-20;1-11(2)9-33-18-6-4-13(8-15(18)22(23,24)25)29(20(27)32)21-28-16(10-34-21)12-3-5-17(30)14(7-12)19(26)31;1-2-3-8-33-18-7-5-13(10-15(18)22(23,24)25)29(20(27)32)21-28-16(11-34-21)12-4-6-17(30)14(9-12)19(26)31/h6-9,11-13,33H,3-5,10H2,1-2H3,(H2,28,34)(H2,29,35);6-11,13-14,30H,1-5,12H2,(H2,26,31)(H2,27,32);6-11,13,15H,2-5,12,14H2,1H3,(H2,25,30)(H,26,29);6-9,11-13H,3-5,10H2,1-2H3,(H2,29,33);5-8,10-11,13H,2-4,9,12H2,1H3,(H2,25,30)(H,26,29);3-8,10-11,30H,9H2,1-2H3,(H2,26,31)(H2,27,32);4-7,9-11,30H,2-3,8H2,1H3,(H2,26,31)(H2,27,32)
InChIKeyNAPHIJJIESSVBI-UHFFFAOYSA-N
XLogP37.65
TPSA797.11 Ų
H-Bond Donors17
H-Bond Acceptors40
Rotatable Bonds56
Heavy Atoms238
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003430.72
LogP ≤ 537.65
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

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

Analyze 5-[2-[4-butoxy-N-carbamoyl-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-(cyclohexylmethoxy)-3-fluoroanilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-[methyl(pentyl)amino]-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-(2-methylpropoxy)-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-[4-[methyl(pentyl)amino]-3-(trifluoromethyl)phenyl]urea;1-(3-fluoro-4-pentoxyphenyl)-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;1-(4-hexoxyphenyl)-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-butoxy-N-carbamoyl-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-(cyclohexylmethoxy)-3-fluoroanilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-[methyl(pentyl)amino]-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-(2-methylpropoxy)-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-[4-[methyl(pentyl)amino]-3-(trifluoromethyl)phenyl]urea;1-(3-fluoro-4-pentoxyphenyl)-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;1-(4-hexoxyphenyl)-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 5-[2-[4-butoxy-N-carbamoyl-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-(cyclohexylmethoxy)-3-fluoroanilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-[methyl(pentyl)amino]-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-(2-methylpropoxy)-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-[4-[methyl(pentyl)amino]-3-(trifluoromethyl)phenyl]urea;1-(3-fluoro-4-pentoxyphenyl)-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;1-(4-hexoxyphenyl)-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea (CID 159725694) is 5-[2-[4-butoxy-N-carbamoyl-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-(cyclohexylmethoxy)-3-fluoroanilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-[methyl(pentyl)amino]-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-(2-methylpropoxy)-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-[4-[methyl(pentyl)amino]-3-(trifluoromethyl)phenyl]urea;1-(3-fluoro-4-pentoxyphenyl)-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;1-(4-hexoxyphenyl)-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 5-[2-[4-butoxy-N-carbamoyl-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-(cyclohexylmethoxy)-3-fluoroanilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-[methyl(pentyl)amino]-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-(2-methylpropoxy)-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-[4-[methyl(pentyl)amino]-3-(trifluoromethyl)phenyl]urea;1-(3-fluoro-4-pentoxyphenyl)-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;1-(4-hexoxyphenyl)-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 5-[2-[4-butoxy-N-carbamoyl-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-(cyclohexylmethoxy)-3-fluoroanilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-[methyl(pentyl)amino]-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-(2-methylpropoxy)-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-[4-[methyl(pentyl)amino]-3-(trifluoromethyl)phenyl]urea;1-(3-fluoro-4-pentoxyphenyl)-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;1-(4-hexoxyphenyl)-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea is CC(C)COc1ccc(N(C(N)=O)c2nc(-c3ccc(O)c(C(N)=O)c3)cs2)cc1C(F)(F)F.CCCCCCOc1ccc(N(C(N)=O)c2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1.CCCCCN(C)c1ccc(N(C(N)=O)c2nc(-c3ccc(F)c(F)c3)cs2)cc1C(F)(F)F.CCCCCN(C)c1ccc(N(C(N)=O)c2nc(-c3ccc(O)c(C(N)=O)c3)cs2)cc1C(F)(F)F.CCCCCOc1ccc(N(C(N)=O)c2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1F.CCCCOc1ccc(N(C(N)=O)c2nc(-c3ccc(O)c(C(N)=O)c3)cs2)cc1C(F)(F)F.NC(=O)c1cc(-c2csc(N(C(N)=O)c3ccc(OCC4CCCCC4)c(F)c3)n2)ccc1O.
What is the InChIKey of 5-[2-[4-butoxy-N-carbamoyl-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-(cyclohexylmethoxy)-3-fluoroanilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-[methyl(pentyl)amino]-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-(2-methylpropoxy)-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-[4-[methyl(pentyl)amino]-3-(trifluoromethyl)phenyl]urea;1-(3-fluoro-4-pentoxyphenyl)-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;1-(4-hexoxyphenyl)-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea?
The InChIKey is NAPHIJJIESSVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O3S.C24H25FN4O4S.C24H26N4O4S.C23H23F5N4OS.C23H23FN4O4S.2C22H21F3N4O4S/c1-3-4-5-10-31(2)19-8-7-15(12-17(19)24(25,26)27)32(22(29)35)23-30-18(13-36-23)14-6-9-20(33)16(11-14)21(28)34;25-18-11-16(7-9-21(18)33-12-14-4-2-1-3-5-14)29(23(27)32)24-28-19(13-34-24)15-6-8-20(30)17(10-15)22(26)31;1-2-3-4-5-12-31-18-9-7-17(8-10-18)28(23(25)30)24-27-20(15-33-24)16-6-11-21-19(13-16)26-22(29)14-32-21;1-3-4-5-10-31(2)20-9-7-15(12-16(20)23(26,27)28)32(21(29)33)22-30-19(13-34-22)14-6-8-17(24)18(25)11-14;1-2-3-4-9-31-19-8-6-15(11-16(19)24)28(22(25)30)23-27-18(13-33-23)14-5-7-20-17(10-14)26-21(29)12-32-20;1-11(2)9-33-18-6-4-13(8-15(18)22(23,24)25)29(20(27)32)21-28-16(10-34-21)12-3-5-17(30)14(7-12)19(26)31;1-2-3-8-33-18-7-5-13(10-15(18)22(23,24)25)29(20(27)32)21-28-16(11-34-21)12-4-6-17(30)14(9-12)19(26)31/h6-9,11-13,33H,3-5,10H2,1-2H3,(H2,28,34)(H2,29,35);6-11,13-14,30H,1-5,12H2,(H2,26,31)(H2,27,32);6-11,13,15H,2-5,12,14H2,1H3,(H2,25,30)(H,26,29);6-9,11-13H,3-5,10H2,1-2H3,(H2,29,33);5-8,10-11,13H,2-4,9,12H2,1H3,(H2,25,30)(H,26,29);3-8,10-11,30H,9H2,1-2H3,(H2,26,31)(H2,27,32);4-7,9-11,30H,2-3,8H2,1H3,(H2,26,31)(H2,27,32).
What are the key properties of 5-[2-[4-butoxy-N-carbamoyl-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-(cyclohexylmethoxy)-3-fluoroanilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-[methyl(pentyl)amino]-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-(2-methylpropoxy)-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-[4-[methyl(pentyl)amino]-3-(trifluoromethyl)phenyl]urea;1-(3-fluoro-4-pentoxyphenyl)-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;1-(4-hexoxyphenyl)-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea?
5-[2-[4-butoxy-N-carbamoyl-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-(cyclohexylmethoxy)-3-fluoroanilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-[methyl(pentyl)amino]-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-(2-methylpropoxy)-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-[4-[methyl(pentyl)amino]-3-(trifluoromethyl)phenyl]urea;1-(3-fluoro-4-pentoxyphenyl)-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;1-(4-hexoxyphenyl)-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea has a molecular weight of 3430.72 g/mol, XLogP of 37.65, 56 rotatable bonds, 17 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-butoxy-N-carbamoyl-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-(cyclohexylmethoxy)-3-fluoroanilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-[methyl(pentyl)amino]-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;5-[2-[N-carbamoyl-4-(2-methylpropoxy)-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide;1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-[4-[methyl(pentyl)amino]-3-(trifluoromethyl)phenyl]urea;1-(3-fluoro-4-pentoxyphenyl)-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;1-(4-hexoxyphenyl)-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 159725694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).