1-[4-butoxy-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;tert-butyl N-(4-bromophenyl)-N-[4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]carbamate;tert-butyl N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-phenylcarbamate;tert-butyl N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-phenylcarbamate;tert-butyl N-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-(3-fluoro-4-pentoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;1-[4-[methyl(pentyl)amino]-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;1-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea

C228H232BrF14N29O29S10 — CID 158284623

IUPAC1-[4-butoxy-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;tert-butyl N-(4-bromophenyl)-N-[4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]carbamate;tert-butyl N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-phenylcarbamate;tert-butyl N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-phenylcarbamate;tert-butyl N-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-(3-fluoro-4-pentoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;1-[4-[methyl(pentyl)amino]-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;1-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea
SMILESCC(C)(C)OC(=O)N(c1ccc(Br)cc1)c1nc(-c2ccc(-n3ccnc3)cc2)cs1.CC(C)(C)OC(=O)N(c1ccccc1)c1nc(-c2ccccc2)cs1.CC(C)COc1ccc(N(C(N)=O)c2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1C(F)(F)F.CCCCCCCCOc1ccc(N(C(=O)OC)c2nc(-c3ccc(F)c(F)c3)cs2)cc1.CCCCCCCCOc1ccc(N(C(=O)OC)c2nc(-c3ccc(F)cc3)cs2)cc1.CCCCCN(C)c1ccc(N(C(N)=O)c2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1C(F)(F)F.CCCCCOc1ccc(N(C(=O)OC)c2nc(-c3ccc(F)cc3)cs2)cc1F.CCCCOc1ccc(N(C(N)=O)c2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1C(F)(F)F.COc1ccc(-c2csc(N(C(=O)OC(C)(C)C)c3ccccc3)n2)cc1.Cc1ccc(-c2csc(N(C(=O)OC(C)(C)C)c3ccccc3)n2)cc1
InChIInChI=1S/C25H26F3N5O3S.C25H28F2N2O3S.C25H29FN2O3S.C23H21BrN4O2S.2C23H21F3N4O4S.C22H22F2N2O3S.C21H22N2O3S.C21H22N2O2S.C20H20N2O2S/c1-3-4-5-10-32(2)20-8-7-16(12-17(20)25(26,27)28)33(23(29)35)24-31-19(14-37-24)15-6-9-21-18(11-15)30-22(34)13-36-21;1-3-4-5-6-7-8-15-32-20-12-10-19(11-13-20)29(25(30)31-2)24-28-23(17-33-24)18-9-14-21(26)22(27)16-18;1-3-4-5-6-7-8-17-31-22-15-13-21(14-16-22)28(25(29)30-2)24-27-23(18-32-24)19-9-11-20(26)12-10-19;1-23(2,3)30-22(29)28(19-10-6-17(24)7-11-19)21-26-20(14-31-21)16-4-8-18(9-5-16)27-13-12-25-15-27;1-12(2)9-33-18-6-4-14(8-15(18)23(24,25)26)30(21(27)32)22-29-17(11-35-22)13-3-5-19-16(7-13)28-20(31)10-34-19;1-2-3-8-33-18-7-5-14(10-15(18)23(24,25)26)30(21(27)32)22-29-17(12-35-22)13-4-6-19-16(9-13)28-20(31)11-34-19;1-3-4-5-12-29-20-11-10-17(13-18(20)24)26(22(27)28-2)21-25-19(14-30-21)15-6-8-16(23)9-7-15;1-21(2,3)26-20(24)23(16-8-6-5-7-9-16)19-22-18(14-27-19)15-10-12-17(25-4)13-11-15;1-15-10-12-16(13-11-15)18-14-26-19(22-18)23(17-8-6-5-7-9-17)20(24)25-21(2,3)4;1-20(2,3)24-19(23)22(16-12-8-5-9-13-16)18-21-17(14-25-18)15-10-6-4-7-11-15/h6-9,11-12,14H,3-5,10,13H2,1-2H3,(H2,29,35)(H,30,34);9-14,16-17H,3-8,15H2,1-2H3;9-16,18H,3-8,17H2,1-2H3;4-15H,1-3H3;3-8,11-12H,9-10H2,1-2H3,(H2,27,32)(H,28,31);4-7,9-10,12H,2-3,8,11H2,1H3,(H2,27,32)(H,28,31);6-11,13-14H,3-5,12H2,1-2H3;5-14H,1-4H3;5-14H,1-4H3;4-14H,1-3H3
InChIKeyGKPYNMCLRSOISL-UHFFFAOYSA-N
MW4509.08 g/mol
LogP63.66
Rot. Bonds65

About 1-[4-butoxy-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;tert-butyl N-(4-bromophenyl)-N-[4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]carbamate;tert-butyl N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-phenylcarbamate;tert-butyl N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-phenylcarbamate;tert-butyl N-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-(3-fluoro-4-pentoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;1-[4-[methyl(pentyl)amino]-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;1-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea

1-[4-butoxy-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;tert-butyl N-(4-bromophenyl)-N-[4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]carbamate;tert-butyl N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-phenylcarbamate;tert-butyl N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-phenylcarbamate;tert-butyl N-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-(3-fluoro-4-pentoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;1-[4-[methyl(pentyl)amino]-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;1-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea (PubChem CID 158284623) has the molecular formula C228H232BrF14N29O29S10 and a molecular weight of 4509.08 g/mol. Its IUPAC name is 1-[4-butoxy-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;tert-butyl N-(4-bromophenyl)-N-[4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]carbamate;tert-butyl N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-phenylcarbamate;tert-butyl N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-phenylcarbamate;tert-butyl N-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-(3-fluoro-4-pentoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;1-[4-[methyl(pentyl)amino]-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;1-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-[4-butoxy-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;tert-butyl N-(4-bromophenyl)-N-[4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]carbamate;tert-butyl N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-phenylcarbamate;tert-butyl N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-phenylcarbamate;tert-butyl N-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-(3-fluoro-4-pentoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;1-[4-[methyl(pentyl)amino]-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;1-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea
PubChem CID158284623
Molecular FormulaC228H232BrF14N29O29S10
Molecular Weight4509.08 g/mol
Exact Mass4504.37
IUPAC Name1-[4-butoxy-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;tert-butyl N-(4-bromophenyl)-N-[4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]carbamate;tert-butyl N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-phenylcarbamate;tert-butyl N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-phenylcarbamate;tert-butyl N-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-(3-fluoro-4-pentoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;1-[4-[methyl(pentyl)amino]-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;1-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea
SMILESCC(C)(C)OC(=O)N(c1ccc(Br)cc1)c1nc(-c2ccc(-n3ccnc3)cc2)cs1.CC(C)(C)OC(=O)N(c1ccccc1)c1nc(-c2ccccc2)cs1.CC(C)COc1ccc(N(C(N)=O)c2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1C(F)(F)F.CCCCCCCCOc1ccc(N(C(=O)OC)c2nc(-c3ccc(F)c(F)c3)cs2)cc1.CCCCCCCCOc1ccc(N(C(=O)OC)c2nc(-c3ccc(F)cc3)cs2)cc1.CCCCCN(C)c1ccc(N(C(N)=O)c2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1C(F)(F)F.CCCCCOc1ccc(N(C(=O)OC)c2nc(-c3ccc(F)cc3)cs2)cc1F.CCCCOc1ccc(N(C(N)=O)c2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1C(F)(F)F.COc1ccc(-c2csc(N(C(=O)OC(C)(C)C)c3ccccc3)n2)cc1.Cc1ccc(-c2csc(N(C(=O)OC(C)(C)C)c3ccccc3)n2)cc1
InChIInChI=1S/C25H26F3N5O3S.C25H28F2N2O3S.C25H29FN2O3S.C23H21BrN4O2S.2C23H21F3N4O4S.C22H22F2N2O3S.C21H22N2O3S.C21H22N2O2S.C20H20N2O2S/c1-3-4-5-10-32(2)20-8-7-16(12-17(20)25(26,27)28)33(23(29)35)24-31-19(14-37-24)15-6-9-21-18(11-15)30-22(34)13-36-21;1-3-4-5-6-7-8-15-32-20-12-10-19(11-13-20)29(25(30)31-2)24-28-23(17-33-24)18-9-14-21(26)22(27)16-18;1-3-4-5-6-7-8-17-31-22-15-13-21(14-16-22)28(25(29)30-2)24-27-23(18-32-24)19-9-11-20(26)12-10-19;1-23(2,3)30-22(29)28(19-10-6-17(24)7-11-19)21-26-20(14-31-21)16-4-8-18(9-5-16)27-13-12-25-15-27;1-12(2)9-33-18-6-4-14(8-15(18)23(24,25)26)30(21(27)32)22-29-17(11-35-22)13-3-5-19-16(7-13)28-20(31)10-34-19;1-2-3-8-33-18-7-5-14(10-15(18)23(24,25)26)30(21(27)32)22-29-17(12-35-22)13-4-6-19-16(9-13)28-20(31)11-34-19;1-3-4-5-12-29-20-11-10-17(13-18(20)24)26(22(27)28-2)21-25-19(14-30-21)15-6-8-16(23)9-7-15;1-21(2,3)26-20(24)23(16-8-6-5-7-9-16)19-22-18(14-27-19)15-10-12-17(25-4)13-11-15;1-15-10-12-16(13-11-15)18-14-26-19(22-18)23(17-8-6-5-7-9-17)20(24)25-21(2,3)4;1-20(2,3)24-19(23)22(16-12-8-5-9-13-16)18-21-17(14-25-18)15-10-6-4-7-11-15/h6-9,11-12,14H,3-5,10,13H2,1-2H3,(H2,29,35)(H,30,34);9-14,16-17H,3-8,15H2,1-2H3;9-16,18H,3-8,17H2,1-2H3;4-15H,1-3H3;3-8,11-12H,9-10H2,1-2H3,(H2,27,32)(H,28,31);4-7,9-10,12H,2-3,8,11H2,1H3,(H2,27,32)(H,28,31);6-11,13-14H,3-5,12H2,1-2H3;5-14H,1-4H3;5-14H,1-4H3;4-14H,1-3H3
InChIKeyGKPYNMCLRSOISL-UHFFFAOYSA-N
XLogP63.66
TPSA666.10 Ų
H-Bond Donors6
H-Bond Acceptors52
Rotatable Bonds65
Heavy Atoms311
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004509.08
LogP ≤ 563.66
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1052

Analyze 1-[4-butoxy-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;tert-butyl N-(4-bromophenyl)-N-[4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]carbamate;tert-butyl N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-phenylcarbamate;tert-butyl N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-phenylcarbamate;tert-butyl N-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-(3-fluoro-4-pentoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;1-[4-[methyl(pentyl)amino]-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;1-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea with MolForge

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Related Compounds

1-[4-butoxy-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;tert-butyl N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-phenylcarbamate;tert-butyl N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-phenylcarbamate;tert-butyl N-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)carbamate;1-[4-(cyclohexylmethoxy)-3-fluorophenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;1-[4-[methyl(pentyl)amino]-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;1-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea
CID 162118064
tert-butyl N-(4-bromophenyl)-N-[4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-[4-pentoxy-3-(trifluoromethyl)phenyl]carbamate;methyl N-(3-fluoro-4-pentoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[4-pentoxy-3-(trifluoromethyl)phenyl]carbamate
CID 162228969

Frequently Asked Questions

What is the IUPAC name of 1-[4-butoxy-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;tert-butyl N-(4-bromophenyl)-N-[4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]carbamate;tert-butyl N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-phenylcarbamate;tert-butyl N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-phenylcarbamate;tert-butyl N-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-(3-fluoro-4-pentoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;1-[4-[methyl(pentyl)amino]-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;1-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-[4-butoxy-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;tert-butyl N-(4-bromophenyl)-N-[4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]carbamate;tert-butyl N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-phenylcarbamate;tert-butyl N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-phenylcarbamate;tert-butyl N-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-(3-fluoro-4-pentoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;1-[4-[methyl(pentyl)amino]-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;1-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea (CID 158284623) is 1-[4-butoxy-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;tert-butyl N-(4-bromophenyl)-N-[4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]carbamate;tert-butyl N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-phenylcarbamate;tert-butyl N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-phenylcarbamate;tert-butyl N-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-(3-fluoro-4-pentoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;1-[4-[methyl(pentyl)amino]-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;1-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-[4-butoxy-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;tert-butyl N-(4-bromophenyl)-N-[4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]carbamate;tert-butyl N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-phenylcarbamate;tert-butyl N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-phenylcarbamate;tert-butyl N-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-(3-fluoro-4-pentoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;1-[4-[methyl(pentyl)amino]-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;1-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-[4-butoxy-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;tert-butyl N-(4-bromophenyl)-N-[4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]carbamate;tert-butyl N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-phenylcarbamate;tert-butyl N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-phenylcarbamate;tert-butyl N-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-(3-fluoro-4-pentoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;1-[4-[methyl(pentyl)amino]-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;1-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea is CC(C)(C)OC(=O)N(c1ccc(Br)cc1)c1nc(-c2ccc(-n3ccnc3)cc2)cs1.CC(C)(C)OC(=O)N(c1ccccc1)c1nc(-c2ccccc2)cs1.CC(C)COc1ccc(N(C(N)=O)c2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1C(F)(F)F.CCCCCCCCOc1ccc(N(C(=O)OC)c2nc(-c3ccc(F)c(F)c3)cs2)cc1.CCCCCCCCOc1ccc(N(C(=O)OC)c2nc(-c3ccc(F)cc3)cs2)cc1.CCCCCN(C)c1ccc(N(C(N)=O)c2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1C(F)(F)F.CCCCCOc1ccc(N(C(=O)OC)c2nc(-c3ccc(F)cc3)cs2)cc1F.CCCCOc1ccc(N(C(N)=O)c2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1C(F)(F)F.COc1ccc(-c2csc(N(C(=O)OC(C)(C)C)c3ccccc3)n2)cc1.Cc1ccc(-c2csc(N(C(=O)OC(C)(C)C)c3ccccc3)n2)cc1.
What is the InChIKey of 1-[4-butoxy-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;tert-butyl N-(4-bromophenyl)-N-[4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]carbamate;tert-butyl N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-phenylcarbamate;tert-butyl N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-phenylcarbamate;tert-butyl N-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-(3-fluoro-4-pentoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;1-[4-[methyl(pentyl)amino]-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;1-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea?
The InChIKey is GKPYNMCLRSOISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O3S.C25H28F2N2O3S.C25H29FN2O3S.C23H21BrN4O2S.2C23H21F3N4O4S.C22H22F2N2O3S.C21H22N2O3S.C21H22N2O2S.C20H20N2O2S/c1-3-4-5-10-32(2)20-8-7-16(12-17(20)25(26,27)28)33(23(29)35)24-31-19(14-37-24)15-6-9-21-18(11-15)30-22(34)13-36-21;1-3-4-5-6-7-8-15-32-20-12-10-19(11-13-20)29(25(30)31-2)24-28-23(17-33-24)18-9-14-21(26)22(27)16-18;1-3-4-5-6-7-8-17-31-22-15-13-21(14-16-22)28(25(29)30-2)24-27-23(18-32-24)19-9-11-20(26)12-10-19;1-23(2,3)30-22(29)28(19-10-6-17(24)7-11-19)21-26-20(14-31-21)16-4-8-18(9-5-16)27-13-12-25-15-27;1-12(2)9-33-18-6-4-14(8-15(18)23(24,25)26)30(21(27)32)22-29-17(11-35-22)13-3-5-19-16(7-13)28-20(31)10-34-19;1-2-3-8-33-18-7-5-14(10-15(18)23(24,25)26)30(21(27)32)22-29-17(12-35-22)13-4-6-19-16(9-13)28-20(31)11-34-19;1-3-4-5-12-29-20-11-10-17(13-18(20)24)26(22(27)28-2)21-25-19(14-30-21)15-6-8-16(23)9-7-15;1-21(2,3)26-20(24)23(16-8-6-5-7-9-16)19-22-18(14-27-19)15-10-12-17(25-4)13-11-15;1-15-10-12-16(13-11-15)18-14-26-19(22-18)23(17-8-6-5-7-9-17)20(24)25-21(2,3)4;1-20(2,3)24-19(23)22(16-12-8-5-9-13-16)18-21-17(14-25-18)15-10-6-4-7-11-15/h6-9,11-12,14H,3-5,10,13H2,1-2H3,(H2,29,35)(H,30,34);9-14,16-17H,3-8,15H2,1-2H3;9-16,18H,3-8,17H2,1-2H3;4-15H,1-3H3;3-8,11-12H,9-10H2,1-2H3,(H2,27,32)(H,28,31);4-7,9-10,12H,2-3,8,11H2,1H3,(H2,27,32)(H,28,31);6-11,13-14H,3-5,12H2,1-2H3;5-14H,1-4H3;5-14H,1-4H3;4-14H,1-3H3.
What are the key properties of 1-[4-butoxy-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;tert-butyl N-(4-bromophenyl)-N-[4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]carbamate;tert-butyl N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-phenylcarbamate;tert-butyl N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-phenylcarbamate;tert-butyl N-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-(3-fluoro-4-pentoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;1-[4-[methyl(pentyl)amino]-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;1-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea?
1-[4-butoxy-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;tert-butyl N-(4-bromophenyl)-N-[4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]carbamate;tert-butyl N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-phenylcarbamate;tert-butyl N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-phenylcarbamate;tert-butyl N-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-(3-fluoro-4-pentoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;1-[4-[methyl(pentyl)amino]-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;1-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea has a molecular weight of 4509.08 g/mol, XLogP of 63.66, 65 rotatable bonds, 6 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-butoxy-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;tert-butyl N-(4-bromophenyl)-N-[4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]carbamate;tert-butyl N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-phenylcarbamate;tert-butyl N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-phenylcarbamate;tert-butyl N-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-(3-fluoro-4-pentoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;1-[4-[methyl(pentyl)amino]-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea;1-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 158284623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).