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

C158H157F10N23O22S7 — CID 162118064

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-(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

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 (PubChem CID 162118064) has the molecular formula C158H157F10N23O22S7 and a molecular weight of 3144.58 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-(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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 162118064
• Molecular Formula: C158H157F10N23O22S7
• Molecular Weight: 3144.58 g/mol
• Exact Mass: 3141.98
• IUPAC Name: 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
• SMILES: 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.CCCCCN(C)c1ccc(N(C(N)=O)c2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1C(F)(F)F.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.NC(=O)N(c1ccc(OCC2CCCCC2)c(F)c1)c1nc(-c2ccc3c(c2)NC(=O)CO3)cs1
• InChI: InChI=1S/C25H26F3N5O3S.C25H25FN4O4S.2C23H21F3N4O4S.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;26-18-11-17(7-9-21(18)33-12-15-4-2-1-3-5-15)30(24(27)32)25-29-20(14-35-25)16-6-8-22-19(10-16)28-23(31)13-34-22;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;1-21(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);6-11,14-15H,1-5,12-13H2,(H2,27,32)(H,28,31);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);5-14H,1-4H3;5-14H,1-4H3;4-14H,1-3H3
• InChIKey: ZHAMYVZZXLFHIE-UHFFFAOYSA-N
• XLogP: 40.39
• TPSA: 557.65 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 37
• Rotatable Bonds: 37
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3144.58
LogP ≤ 5	40.39
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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-(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?

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-(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) 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-(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.

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-(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?

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-(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 is 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.CCCCCN(C)c1ccc(N(C(N)=O)c2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1C(F)(F)F.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.NC(=O)N(c1ccc(OCC2CCCCC2)c(F)c1)c1nc(-c2ccc3c(c2)NC(=O)CO3)cs1.

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-(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?

The InChIKey is ZHAMYVZZXLFHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O3S.C25H25FN4O4S.2C23H21F3N4O4S.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;26-18-11-17(7-9-21(18)33-12-15-4-2-1-3-5-15)30(24(27)32)25-29-20(14-35-25)16-6-8-22-19(10-16)28-23(31)13-34-22;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;1-21(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);6-11,14-15H,1-5,12-13H2,(H2,27,32)(H,28,31);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);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-(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?

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 has a molecular weight of 3144.58 g/mol, XLogP of 40.39, 37 rotatable bonds, 8 hydrogen bond donors, and 37 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-(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 is sourced from PubChem (CID 162118064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).