N-[4-(2-bromo-1,3-thiazol-5-yl)-3-(tert-butylsulfamoyl)phenyl]acetamide;tert-butyl 1-[5-[4-acetamido-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;N-[3-(tert-butylsulfamoyl)-4-(2-piperazin-1-yl-1,3-thiazol-5-yl)phenyl]acetamide;piperidin-4-ol;propan-2-yl 1-[5-[4-acetamido-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;propan-2-yl 1-[5-[4-amino-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;propan-2-yl 1-[5-[2-(tert-butylsulfamoyl)-4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;bis(propan-2-yl carbonochloridate);2,2,2-trifluoroacetaldehyde

C146H211BrCl2F3N25O32S12 — CID 158721168

About N-[4-(2-bromo-1,3-thiazol-5-yl)-3-(tert-butylsulfamoyl)phenyl]acetamide;tert-butyl 1-[5-[4-acetamido-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;N-[3-(tert-butylsulfamoyl)-4-(2-piperazin-1-yl-1,3-thiazol-5-yl)phenyl]acetamide;piperidin-4-ol;propan-2-yl 1-[5-[4-acetamido-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;propan-2-yl 1-[5-[4-amino-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;propan-2-yl 1-[5-[2-(tert-butylsulfamoyl)-4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;bis(propan-2-yl carbonochloridate);2,2,2-trifluoroacetaldehyde

N-[4-(2-bromo-1,3-thiazol-5-yl)-3-(tert-butylsulfamoyl)phenyl]acetamide;tert-butyl 1-[5-[4-acetamido-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;N-[3-(tert-butylsulfamoyl)-4-(2-piperazin-1-yl-1,3-thiazol-5-yl)phenyl]acetamide;piperidin-4-ol;propan-2-yl 1-[5-[4-acetamido-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;propan-2-yl 1-[5-[4-amino-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;propan-2-yl 1-[5-[2-(tert-butylsulfamoyl)-4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;bis(propan-2-yl carbonochloridate);2,2,2-trifluoroacetaldehyde (PubChem CID 158721168) has the molecular formula C146H211BrCl2F3N25O32S12 and a molecular weight of 3421.04 g/mol. Its IUPAC name is N-[4-(2-bromo-1,3-thiazol-5-yl)-3-(tert-butylsulfamoyl)phenyl]acetamide;tert-butyl 1-[5-[4-acetamido-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;N-[3-(tert-butylsulfamoyl)-4-(2-piperazin-1-yl-1,3-thiazol-5-yl)phenyl]acetamide;piperidin-4-ol;propan-2-yl 1-[5-[4-acetamido-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;propan-2-yl 1-[5-[4-amino-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;propan-2-yl 1-[5-[2-(tert-butylsulfamoyl)-4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;bis(propan-2-yl carbonochloridate);2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: N-[4-(2-bromo-1,3-thiazol-5-yl)-3-(tert-butylsulfamoyl)phenyl]acetamide;tert-butyl 1-[5-[4-acetamido-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;N-[3-(tert-butylsulfamoyl)-4-(2-piperazin-1-yl-1,3-thiazol-5-yl)phenyl]acetamide;piperidin-4-ol;propan-2-yl 1-[5-[4-acetamido-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;propan-2-yl 1-[5-[4-amino-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;propan-2-yl 1-[5-[2-(tert-butylsulfamoyl)-4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;bis(propan-2-yl carbonochloridate);2,2,2-trifluoroacetaldehyde
• PubChem CID: 158721168
• Molecular Formula: C146H211BrCl2F3N25O32S12
• Molecular Weight: 3421.04 g/mol
• Exact Mass: 3416.08
• IUPAC Name: N-[4-(2-bromo-1,3-thiazol-5-yl)-3-(tert-butylsulfamoyl)phenyl]acetamide;tert-butyl 1-[5-[4-acetamido-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;N-[3-(tert-butylsulfamoyl)-4-(2-piperazin-1-yl-1,3-thiazol-5-yl)phenyl]acetamide;piperidin-4-ol;propan-2-yl 1-[5-[4-acetamido-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;propan-2-yl 1-[5-[4-amino-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;propan-2-yl 1-[5-[2-(tert-butylsulfamoyl)-4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;bis(propan-2-yl carbonochloridate);2,2,2-trifluoroacetaldehyde
• SMILES: CC(=O)Nc1ccc(-c2cnc(Br)s2)c(S(=O)(=O)NC(C)(C)C)c1.CC(=O)Nc1ccc(-c2cnc(N3CCC(C(=O)OC(C)(C)C)CC3)s2)c(S(=O)(=O)NC(C)(C)C)c1.CC(=O)Nc1ccc(-c2cnc(N3CCC(C(=O)OC(C)C)CC3)s2)c(S(=O)(=O)NC(C)(C)C)c1.CC(=O)Nc1ccc(-c2cnc(N3CCNCC3)s2)c(S(=O)(=O)NC(C)(C)C)c1.CC(C)OC(=O)C1CCN(c2ncc(-c3ccc(N)cc3S(=O)(=O)NC(C)(C)C)s2)CC1.CC(C)OC(=O)Cl.CC(C)OC(=O)Cl.CC(C)OC(=O)Nc1ccc(-c2cnc(N3CCC(C(=O)OC(C)C)CC3)s2)c(S(=O)(=O)NC(C)(C)C)c1.O=CC(F)(F)F.OC1CCNCC1
• InChI: InChI=1S/C26H38N4O6S2.C25H36N4O5S2.C24H34N4O5S2.C22H32N4O4S2.C19H27N5O3S2.C15H18BrN3O3S2.C5H11NO.2C4H7ClO2.C2HF3O/c1-16(2)35-23(31)18-10-12-30(13-11-18)24-27-15-21(37-24)20-9-8-19(28-25(32)36-17(3)4)14-22(20)38(33,34)29-26(5,6)7;1-16(30)27-18-8-9-19(21(14-18)36(32,33)28-24(2,3)4)20-15-26-23(35-20)29-12-10-17(11-13-29)22(31)34-25(5,6)7;1-15(2)33-22(30)17-9-11-28(12-10-17)23-25-14-20(34-23)19-8-7-18(26-16(3)29)13-21(19)35(31,32)27-24(4,5)6;1-14(2)30-20(27)15-8-10-26(11-9-15)21-24-13-18(31-21)17-7-6-16(23)12-19(17)32(28,29)25-22(3,4)5;1-13(25)22-14-5-6-15(17(11-14)29(26,27)23-19(2,3)4)16-12-21-18(28-16)24-9-7-20-8-10-24;1-9(20)18-10-5-6-11(12-8-17-14(16)23-12)13(7-10)24(21,22)19-15(2,3)4;7-5-1-3-6-4-2-5;2*1-3(2)7-4(5)6;3-2(4,5)1-6/h8-9,14-18,29H,10-13H2,1-7H3,(H,28,32);8-9,14-15,17,28H,10-13H2,1-7H3,(H,27,30);7-8,13-15,17,27H,9-12H2,1-6H3,(H,26,29);6-7,12-15,25H,8-11,23H2,1-5H3;5-6,11-12,20,23H,7-10H2,1-4H3,(H,22,25);5-8,19H,1-4H3,(H,18,20);5-7H,1-4H2;2*3H,1-2H3;1H
• InChIKey: IJXXLIHCMMXPQM-UHFFFAOYSA-N
• XLogP: 26.95
• TPSA: 770.47 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 52
• Rotatable Bonds: 38
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3421.04
LogP ≤ 5	26.95
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bromo-1,3-thiazol-5-yl)-3-(tert-butylsulfamoyl)phenyl]acetamide;tert-butyl 1-[5-[4-acetamido-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;N-[3-(tert-butylsulfamoyl)-4-(2-piperazin-1-yl-1,3-thiazol-5-yl)phenyl]acetamide;piperidin-4-ol;propan-2-yl 1-[5-[4-acetamido-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;propan-2-yl 1-[5-[4-amino-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;propan-2-yl 1-[5-[2-(tert-butylsulfamoyl)-4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;bis(propan-2-yl carbonochloridate);2,2,2-trifluoroacetaldehyde?

The IUPAC name of N-[4-(2-bromo-1,3-thiazol-5-yl)-3-(tert-butylsulfamoyl)phenyl]acetamide;tert-butyl 1-[5-[4-acetamido-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;N-[3-(tert-butylsulfamoyl)-4-(2-piperazin-1-yl-1,3-thiazol-5-yl)phenyl]acetamide;piperidin-4-ol;propan-2-yl 1-[5-[4-acetamido-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;propan-2-yl 1-[5-[4-amino-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;propan-2-yl 1-[5-[2-(tert-butylsulfamoyl)-4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;bis(propan-2-yl carbonochloridate);2,2,2-trifluoroacetaldehyde (CID 158721168) is N-[4-(2-bromo-1,3-thiazol-5-yl)-3-(tert-butylsulfamoyl)phenyl]acetamide;tert-butyl 1-[5-[4-acetamido-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;N-[3-(tert-butylsulfamoyl)-4-(2-piperazin-1-yl-1,3-thiazol-5-yl)phenyl]acetamide;piperidin-4-ol;propan-2-yl 1-[5-[4-acetamido-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;propan-2-yl 1-[5-[4-amino-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;propan-2-yl 1-[5-[2-(tert-butylsulfamoyl)-4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;bis(propan-2-yl carbonochloridate);2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for N-[4-(2-bromo-1,3-thiazol-5-yl)-3-(tert-butylsulfamoyl)phenyl]acetamide;tert-butyl 1-[5-[4-acetamido-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;N-[3-(tert-butylsulfamoyl)-4-(2-piperazin-1-yl-1,3-thiazol-5-yl)phenyl]acetamide;piperidin-4-ol;propan-2-yl 1-[5-[4-acetamido-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;propan-2-yl 1-[5-[4-amino-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;propan-2-yl 1-[5-[2-(tert-butylsulfamoyl)-4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;bis(propan-2-yl carbonochloridate);2,2,2-trifluoroacetaldehyde?

The canonical SMILES for N-[4-(2-bromo-1,3-thiazol-5-yl)-3-(tert-butylsulfamoyl)phenyl]acetamide;tert-butyl 1-[5-[4-acetamido-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;N-[3-(tert-butylsulfamoyl)-4-(2-piperazin-1-yl-1,3-thiazol-5-yl)phenyl]acetamide;piperidin-4-ol;propan-2-yl 1-[5-[4-acetamido-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;propan-2-yl 1-[5-[4-amino-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;propan-2-yl 1-[5-[2-(tert-butylsulfamoyl)-4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;bis(propan-2-yl carbonochloridate);2,2,2-trifluoroacetaldehyde is CC(=O)Nc1ccc(-c2cnc(Br)s2)c(S(=O)(=O)NC(C)(C)C)c1.CC(=O)Nc1ccc(-c2cnc(N3CCC(C(=O)OC(C)(C)C)CC3)s2)c(S(=O)(=O)NC(C)(C)C)c1.CC(=O)Nc1ccc(-c2cnc(N3CCC(C(=O)OC(C)C)CC3)s2)c(S(=O)(=O)NC(C)(C)C)c1.CC(=O)Nc1ccc(-c2cnc(N3CCNCC3)s2)c(S(=O)(=O)NC(C)(C)C)c1.CC(C)OC(=O)C1CCN(c2ncc(-c3ccc(N)cc3S(=O)(=O)NC(C)(C)C)s2)CC1.CC(C)OC(=O)Cl.CC(C)OC(=O)Cl.CC(C)OC(=O)Nc1ccc(-c2cnc(N3CCC(C(=O)OC(C)C)CC3)s2)c(S(=O)(=O)NC(C)(C)C)c1.O=CC(F)(F)F.OC1CCNCC1.

What is the InChIKey of N-[4-(2-bromo-1,3-thiazol-5-yl)-3-(tert-butylsulfamoyl)phenyl]acetamide;tert-butyl 1-[5-[4-acetamido-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;N-[3-(tert-butylsulfamoyl)-4-(2-piperazin-1-yl-1,3-thiazol-5-yl)phenyl]acetamide;piperidin-4-ol;propan-2-yl 1-[5-[4-acetamido-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;propan-2-yl 1-[5-[4-amino-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;propan-2-yl 1-[5-[2-(tert-butylsulfamoyl)-4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;bis(propan-2-yl carbonochloridate);2,2,2-trifluoroacetaldehyde?

The InChIKey is IJXXLIHCMMXPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O6S2.C25H36N4O5S2.C24H34N4O5S2.C22H32N4O4S2.C19H27N5O3S2.C15H18BrN3O3S2.C5H11NO.2C4H7ClO2.C2HF3O/c1-16(2)35-23(31)18-10-12-30(13-11-18)24-27-15-21(37-24)20-9-8-19(28-25(32)36-17(3)4)14-22(20)38(33,34)29-26(5,6)7;1-16(30)27-18-8-9-19(21(14-18)36(32,33)28-24(2,3)4)20-15-26-23(35-20)29-12-10-17(11-13-29)22(31)34-25(5,6)7;1-15(2)33-22(30)17-9-11-28(12-10-17)23-25-14-20(34-23)19-8-7-18(26-16(3)29)13-21(19)35(31,32)27-24(4,5)6;1-14(2)30-20(27)15-8-10-26(11-9-15)21-24-13-18(31-21)17-7-6-16(23)12-19(17)32(28,29)25-22(3,4)5;1-13(25)22-14-5-6-15(17(11-14)29(26,27)23-19(2,3)4)16-12-21-18(28-16)24-9-7-20-8-10-24;1-9(20)18-10-5-6-11(12-8-17-14(16)23-12)13(7-10)24(21,22)19-15(2,3)4;7-5-1-3-6-4-2-5;2*1-3(2)7-4(5)6;3-2(4,5)1-6/h8-9,14-18,29H,10-13H2,1-7H3,(H,28,32);8-9,14-15,17,28H,10-13H2,1-7H3,(H,27,30);7-8,13-15,17,27H,9-12H2,1-6H3,(H,26,29);6-7,12-15,25H,8-11,23H2,1-5H3;5-6,11-12,20,23H,7-10H2,1-4H3,(H,22,25);5-8,19H,1-4H3,(H,18,20);5-7H,1-4H2;2*3H,1-2H3;1H.

What are the key properties of N-[4-(2-bromo-1,3-thiazol-5-yl)-3-(tert-butylsulfamoyl)phenyl]acetamide;tert-butyl 1-[5-[4-acetamido-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;N-[3-(tert-butylsulfamoyl)-4-(2-piperazin-1-yl-1,3-thiazol-5-yl)phenyl]acetamide;piperidin-4-ol;propan-2-yl 1-[5-[4-acetamido-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;propan-2-yl 1-[5-[4-amino-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;propan-2-yl 1-[5-[2-(tert-butylsulfamoyl)-4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;bis(propan-2-yl carbonochloridate);2,2,2-trifluoroacetaldehyde?

N-[4-(2-bromo-1,3-thiazol-5-yl)-3-(tert-butylsulfamoyl)phenyl]acetamide;tert-butyl 1-[5-[4-acetamido-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;N-[3-(tert-butylsulfamoyl)-4-(2-piperazin-1-yl-1,3-thiazol-5-yl)phenyl]acetamide;piperidin-4-ol;propan-2-yl 1-[5-[4-acetamido-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;propan-2-yl 1-[5-[4-amino-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;propan-2-yl 1-[5-[2-(tert-butylsulfamoyl)-4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;bis(propan-2-yl carbonochloridate);2,2,2-trifluoroacetaldehyde has a molecular weight of 3421.04 g/mol, XLogP of 26.95, 38 rotatable bonds, 15 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-bromo-1,3-thiazol-5-yl)-3-(tert-butylsulfamoyl)phenyl]acetamide;tert-butyl 1-[5-[4-acetamido-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;N-[3-(tert-butylsulfamoyl)-4-(2-piperazin-1-yl-1,3-thiazol-5-yl)phenyl]acetamide;piperidin-4-ol;propan-2-yl 1-[5-[4-acetamido-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;propan-2-yl 1-[5-[4-amino-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;propan-2-yl 1-[5-[2-(tert-butylsulfamoyl)-4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;bis(propan-2-yl carbonochloridate);2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 158721168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).