N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-(1H-indol-3-ylmethyl)-1-[2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-phenylbutan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one

C149H187F6N25O7S6 — CID 158510520

About N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-(1H-indol-3-ylmethyl)-1-[2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-phenylbutan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one

N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-(1H-indol-3-ylmethyl)-1-[2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-phenylbutan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one (PubChem CID 158510520) has the molecular formula C149H187F6N25O7S6 and a molecular weight of 2746.69 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-(1H-indol-3-ylmethyl)-1-[2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-phenylbutan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one.

Molecular Properties

• Compound Name: N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-(1H-indol-3-ylmethyl)-1-[2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-phenylbutan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one
• PubChem CID: 158510520
• Molecular Formula: C149H187F6N25O7S6
• Molecular Weight: 2746.69 g/mol
• Exact Mass: 2744.33
• IUPAC Name: N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-(1H-indol-3-ylmethyl)-1-[2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-phenylbutan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one
• SMILES: CCCCC(CC(=O)c1cnc(N2CC3CCC(C2)N3C)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCN(C)C(C(F)(F)F)C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCN(CCOC(F)(F)F)CC2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2C[C@@H](C)N(C)[C@H](C)C2)s1)Cc1c[nH]c2ccccc12.CN1CCN(c2ncc(C(=O)CC(Cc3c[nH]c4ccccc34)c3ccccc3)s2)CC1.CN1CCN(c2ncc(C(=O)N(C)CCc3c[nH]c4ccccc34)s2)CC1
• InChI: InChI=1S/C26H33F3N4O2S.C26H28N4OS.C26H34N4OS.C26H36N4OS.C25H31F3N4OS.C20H25N5OS/c1-2-3-6-19(15-20-17-30-22-8-5-4-7-21(20)22)16-23(34)24-18-31-25(36-24)33-11-9-32(10-12-33)13-14-35-26(27,28)29;1-29-11-13-30(14-12-29)26-28-18-25(32-26)24(31)16-20(19-7-3-2-4-8-19)15-21-17-27-23-10-6-5-9-22(21)23;1-3-4-7-18(12-19-14-27-23-9-6-5-8-22(19)23)13-24(31)25-15-28-26(32-25)30-16-20-10-11-21(17-30)29(20)2;1-5-6-9-20(12-21-14-27-23-11-8-7-10-22(21)23)13-24(31)25-15-28-26(32-25)30-16-18(2)29(4)19(3)17-30;1-3-4-7-17(12-18-14-29-20-9-6-5-8-19(18)20)13-21(33)22-15-30-24(34-22)32-11-10-31(2)23(16-32)25(26,27)28;1-23-9-11-25(12-10-23)20-22-14-18(27-20)19(26)24(2)8-7-15-13-21-17-6-4-3-5-16(15)17/h4-5,7-8,17-19,30H,2-3,6,9-16H2,1H3;2-10,17-18,20,27H,11-16H2,1H3;5-6,8-9,14-15,18,20-21,27H,3-4,7,10-13,16-17H2,1-2H3;7-8,10-11,14-15,18-20,27H,5-6,9,12-13,16-17H2,1-4H3;5-6,8-9,14-15,17,23,29H,3-4,7,10-13,16H2,1-2H3;3-6,13-14,21H,7-12H2,1-2H3/t;;;18-,19-,20?;;/m...1../s1
• InChIKey: HKZMCLQWZWLKMX-UFTBSWMFSA-N
• XLogP: 30.80
• TPSA: 325.85 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 51
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2746.69
LogP ≤ 5	30.80
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-(1H-indol-3-ylmethyl)-1-[2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-phenylbutan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one?

The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-(1H-indol-3-ylmethyl)-1-[2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-phenylbutan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one (CID 158510520) is N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-(1H-indol-3-ylmethyl)-1-[2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-phenylbutan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one.

What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-(1H-indol-3-ylmethyl)-1-[2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-phenylbutan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one?

The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-(1H-indol-3-ylmethyl)-1-[2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-phenylbutan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one is CCCCC(CC(=O)c1cnc(N2CC3CCC(C2)N3C)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCN(C)C(C(F)(F)F)C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCN(CCOC(F)(F)F)CC2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2C[C@@H](C)N(C)[C@H](C)C2)s1)Cc1c[nH]c2ccccc12.CN1CCN(c2ncc(C(=O)CC(Cc3c[nH]c4ccccc34)c3ccccc3)s2)CC1.CN1CCN(c2ncc(C(=O)N(C)CCc3c[nH]c4ccccc34)s2)CC1.

What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-(1H-indol-3-ylmethyl)-1-[2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-phenylbutan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one?

The InChIKey is HKZMCLQWZWLKMX-UFTBSWMFSA-N. The full InChI is InChI=1S/C26H33F3N4O2S.C26H28N4OS.C26H34N4OS.C26H36N4OS.C25H31F3N4OS.C20H25N5OS/c1-2-3-6-19(15-20-17-30-22-8-5-4-7-21(20)22)16-23(34)24-18-31-25(36-24)33-11-9-32(10-12-33)13-14-35-26(27,28)29;1-29-11-13-30(14-12-29)26-28-18-25(32-26)24(31)16-20(19-7-3-2-4-8-19)15-21-17-27-23-10-6-5-9-22(21)23;1-3-4-7-18(12-19-14-27-23-9-6-5-8-22(19)23)13-24(31)25-15-28-26(32-25)30-16-20-10-11-21(17-30)29(20)2;1-5-6-9-20(12-21-14-27-23-11-8-7-10-22(21)23)13-24(31)25-15-28-26(32-25)30-16-18(2)29(4)19(3)17-30;1-3-4-7-17(12-18-14-29-20-9-6-5-8-19(18)20)13-21(33)22-15-30-24(34-22)32-11-10-31(2)23(16-32)25(26,27)28;1-23-9-11-25(12-10-23)20-22-14-18(27-20)19(26)24(2)8-7-15-13-21-17-6-4-3-5-16(15)17/h4-5,7-8,17-19,30H,2-3,6,9-16H2,1H3;2-10,17-18,20,27H,11-16H2,1H3;5-6,8-9,14-15,18,20-21,27H,3-4,7,10-13,16-17H2,1-2H3;7-8,10-11,14-15,18-20,27H,5-6,9,12-13,16-17H2,1-4H3;5-6,8-9,14-15,17,23,29H,3-4,7,10-13,16H2,1-2H3;3-6,13-14,21H,7-12H2,1-2H3/t;;;18-,19-,20?;;/m...1../s1.

What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-(1H-indol-3-ylmethyl)-1-[2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-phenylbutan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one?

N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-(1H-indol-3-ylmethyl)-1-[2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-phenylbutan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one has a molecular weight of 2746.69 g/mol, XLogP of 30.80, 51 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-(1H-indol-3-ylmethyl)-1-[2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-phenylbutan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one is sourced from PubChem (CID 158510520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).