N-butyl-N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-cyclopentyl-4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;1-[2-[3-(difluoromethyl)-4-methylpiperazin-1-yl]-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-[3-(fluoromethyl)-4-methylpiperazin-1-yl]-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-6-methyl-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one

C149H198F3N25O6S6 — CID 157331652

About N-butyl-N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-cyclopentyl-4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;1-[2-[3-(difluoromethyl)-4-methylpiperazin-1-yl]-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-[3-(fluoromethyl)-4-methylpiperazin-1-yl]-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-6-methyl-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one

N-butyl-N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-cyclopentyl-4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;1-[2-[3-(difluoromethyl)-4-methylpiperazin-1-yl]-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-[3-(fluoromethyl)-4-methylpiperazin-1-yl]-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-6-methyl-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one (PubChem CID 157331652) has the molecular formula C149H198F3N25O6S6 and a molecular weight of 2684.79 g/mol. Its IUPAC name is N-butyl-N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-cyclopentyl-4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;1-[2-[3-(difluoromethyl)-4-methylpiperazin-1-yl]-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-[3-(fluoromethyl)-4-methylpiperazin-1-yl]-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-6-methyl-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one.

Molecular Properties

• Compound Name: N-butyl-N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-cyclopentyl-4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;1-[2-[3-(difluoromethyl)-4-methylpiperazin-1-yl]-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-[3-(fluoromethyl)-4-methylpiperazin-1-yl]-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-6-methyl-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one
• PubChem CID: 157331652
• Molecular Formula: C149H198F3N25O6S6
• Molecular Weight: 2684.79 g/mol
• Exact Mass: 2682.42
• IUPAC Name: N-butyl-N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-cyclopentyl-4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;1-[2-[3-(difluoromethyl)-4-methylpiperazin-1-yl]-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-[3-(fluoromethyl)-4-methylpiperazin-1-yl]-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-6-methyl-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one
• SMILES: CC(C)CCC(CC(=O)c1cnc(N2CCN(C)CC2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCN(C)C(C(F)F)C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCN(C)C(CF)C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2C[C@@H](C)N(C)[C@@H](C)C2)s1)Cc1c[nH]c2ccccc12.CCCCN(CCc1c[nH]c2ccccc12)C(=O)c1cnc(N2CCN(C)CC2)s1.CN1CCN(c2ncc(C(=O)CC(Cc3c[nH]c4ccccc34)C3CCCC3)s2)CC1
• InChI: InChI=1S/C26H36N4OS.C25H32F2N4OS.C25H33FN4OS.C25H32N4OS.C25H34N4OS.C23H31N5OS/c1-5-6-9-20(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(12-18-14-28-20-9-6-5-8-19(18)20)13-22(32)23-15-29-25(33-23)31-11-10-30(2)21(16-31)24(26)27;1-3-4-7-18(12-19-15-27-22-9-6-5-8-21(19)22)13-23(31)24-16-28-25(32-24)30-11-10-29(2)20(14-26)17-30;1-28-10-12-29(13-11-28)25-27-17-24(31-25)23(30)15-19(18-6-2-3-7-18)14-20-16-26-22-9-5-4-8-21(20)22;1-18(2)8-9-19(14-20-16-26-22-7-5-4-6-21(20)22)15-23(30)24-17-27-25(31-24)29-12-10-28(3)11-13-29;1-3-4-10-27(11-9-18-16-24-20-8-6-5-7-19(18)20)22(29)21-17-25-23(30-21)28-14-12-26(2)13-15-28/h7-8,10-11,14-15,18-20,27H,5-6,9,12-13,16-17H2,1-4H3;5-6,8-9,14-15,17,21,24,28H,3-4,7,10-13,16H2,1-2H3;5-6,8-9,15-16,18,20,27H,3-4,7,10-14,17H2,1-2H3;4-5,8-9,16-19,26H,2-3,6-7,10-15H2,1H3;4-7,16-19,26H,8-15H2,1-3H3;5-8,16-17,24H,3-4,9-15H2,1-2H3/t18-,19+,20?
• InChIKey: BFIYDRJGRIQVLZ-XMZMAOSWSA-N
• XLogP: 30.85
• TPSA: 316.62 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 53
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2684.79
LogP ≤ 5	30.85
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-cyclopentyl-4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;1-[2-[3-(difluoromethyl)-4-methylpiperazin-1-yl]-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-[3-(fluoromethyl)-4-methylpiperazin-1-yl]-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-6-methyl-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one?

The IUPAC name of N-butyl-N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-cyclopentyl-4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;1-[2-[3-(difluoromethyl)-4-methylpiperazin-1-yl]-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-[3-(fluoromethyl)-4-methylpiperazin-1-yl]-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-6-methyl-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one (CID 157331652) is N-butyl-N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-cyclopentyl-4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;1-[2-[3-(difluoromethyl)-4-methylpiperazin-1-yl]-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-[3-(fluoromethyl)-4-methylpiperazin-1-yl]-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-6-methyl-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one.

What is the SMILES notation for N-butyl-N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-cyclopentyl-4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;1-[2-[3-(difluoromethyl)-4-methylpiperazin-1-yl]-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-[3-(fluoromethyl)-4-methylpiperazin-1-yl]-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-6-methyl-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one?

The canonical SMILES for N-butyl-N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-cyclopentyl-4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;1-[2-[3-(difluoromethyl)-4-methylpiperazin-1-yl]-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-[3-(fluoromethyl)-4-methylpiperazin-1-yl]-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-6-methyl-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one is CC(C)CCC(CC(=O)c1cnc(N2CCN(C)CC2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCN(C)C(C(F)F)C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCN(C)C(CF)C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2C[C@@H](C)N(C)[C@@H](C)C2)s1)Cc1c[nH]c2ccccc12.CCCCN(CCc1c[nH]c2ccccc12)C(=O)c1cnc(N2CCN(C)CC2)s1.CN1CCN(c2ncc(C(=O)CC(Cc3c[nH]c4ccccc34)C3CCCC3)s2)CC1.

What is the InChIKey of N-butyl-N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-cyclopentyl-4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;1-[2-[3-(difluoromethyl)-4-methylpiperazin-1-yl]-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-[3-(fluoromethyl)-4-methylpiperazin-1-yl]-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-6-methyl-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one?

The InChIKey is BFIYDRJGRIQVLZ-XMZMAOSWSA-N. The full InChI is InChI=1S/C26H36N4OS.C25H32F2N4OS.C25H33FN4OS.C25H32N4OS.C25H34N4OS.C23H31N5OS/c1-5-6-9-20(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(12-18-14-28-20-9-6-5-8-19(18)20)13-22(32)23-15-29-25(33-23)31-11-10-30(2)21(16-31)24(26)27;1-3-4-7-18(12-19-15-27-22-9-6-5-8-21(19)22)13-23(31)24-16-28-25(32-24)30-11-10-29(2)20(14-26)17-30;1-28-10-12-29(13-11-28)25-27-17-24(31-25)23(30)15-19(18-6-2-3-7-18)14-20-16-26-22-9-5-4-8-21(20)22;1-18(2)8-9-19(14-20-16-26-22-7-5-4-6-21(20)22)15-23(30)24-17-27-25(31-24)29-12-10-28(3)11-13-29;1-3-4-10-27(11-9-18-16-24-20-8-6-5-7-19(18)20)22(29)21-17-25-23(30-21)28-14-12-26(2)13-15-28/h7-8,10-11,14-15,18-20,27H,5-6,9,12-13,16-17H2,1-4H3;5-6,8-9,14-15,17,21,24,28H,3-4,7,10-13,16H2,1-2H3;5-6,8-9,15-16,18,20,27H,3-4,7,10-14,17H2,1-2H3;4-5,8-9,16-19,26H,2-3,6-7,10-15H2,1H3;4-7,16-19,26H,8-15H2,1-3H3;5-8,16-17,24H,3-4,9-15H2,1-2H3/t18-,19+,20?;;;;;.

What are the key properties of N-butyl-N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-cyclopentyl-4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;1-[2-[3-(difluoromethyl)-4-methylpiperazin-1-yl]-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-[3-(fluoromethyl)-4-methylpiperazin-1-yl]-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-6-methyl-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one?

N-butyl-N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-cyclopentyl-4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;1-[2-[3-(difluoromethyl)-4-methylpiperazin-1-yl]-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-[3-(fluoromethyl)-4-methylpiperazin-1-yl]-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-6-methyl-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one has a molecular weight of 2684.79 g/mol, XLogP of 30.85, 53 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-cyclopentyl-4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;1-[2-[3-(difluoromethyl)-4-methylpiperazin-1-yl]-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-[3-(fluoromethyl)-4-methylpiperazin-1-yl]-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-6-methyl-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one is sourced from PubChem (CID 157331652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).