N-[1-(1H-indol-3-yl)hexan-2-yl]-N-methyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole-2-carboxamide;N-[1-(1H-indol-3-yl)hexan-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;4-(1H-indol-3-yl)-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]butan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one

C89H117N19O4S4 — CID 158143157

About N-[1-(1H-indol-3-yl)hexan-2-yl]-N-methyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole-2-carboxamide;N-[1-(1H-indol-3-yl)hexan-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;4-(1H-indol-3-yl)-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]butan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one

N-[1-(1H-indol-3-yl)hexan-2-yl]-N-methyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole-2-carboxamide;N-[1-(1H-indol-3-yl)hexan-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;4-(1H-indol-3-yl)-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]butan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one (PubChem CID 158143157) has the molecular formula C89H117N19O4S4 and a molecular weight of 1645.31 g/mol. Its IUPAC name is N-[1-(1H-indol-3-yl)hexan-2-yl]-N-methyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole-2-carboxamide;N-[1-(1H-indol-3-yl)hexan-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;4-(1H-indol-3-yl)-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]butan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one.

Molecular Properties

• Compound Name: N-[1-(1H-indol-3-yl)hexan-2-yl]-N-methyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole-2-carboxamide;N-[1-(1H-indol-3-yl)hexan-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;4-(1H-indol-3-yl)-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]butan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one
• PubChem CID: 158143157
• Molecular Formula: C89H117N19O4S4
• Molecular Weight: 1645.31 g/mol
• Exact Mass: 1643.84
• IUPAC Name: N-[1-(1H-indol-3-yl)hexan-2-yl]-N-methyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole-2-carboxamide;N-[1-(1H-indol-3-yl)hexan-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;4-(1H-indol-3-yl)-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]butan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one
• SMILES: CCCCC(Cc1c[nH]c2ccccc12)N(C)C(=O)c1cnc(N2CCN(C)CC2)s1.CCCCC(Cc1c[nH]c2ccccc12)N(C)C(=O)c1nnc(N2CCN(C)CC2)s1.CN1CCN(CCc2ncc(C(=O)CCCc3c[nH]c4ccccc34)s2)CC1.CN1CCN(c2ncc(C(=O)CCCc3c[nH]c4ccccc34)s2)CC1
• InChI: InChI=1S/C24H33N5OS.C23H32N6OS.C22H28N4OS.C20H24N4OS/c1-4-5-8-19(15-18-16-25-21-10-7-6-9-20(18)21)28(3)23(30)22-17-26-24(31-22)29-13-11-27(2)12-14-29;1-4-5-8-18(15-17-16-24-20-10-7-6-9-19(17)20)28(3)22(30)21-25-26-23(31-21)29-13-11-27(2)12-14-29;1-25-11-13-26(14-12-25)10-9-22-24-16-21(28-22)20(27)8-4-5-17-15-23-19-7-3-2-6-18(17)19;1-23-9-11-24(12-10-23)20-22-14-19(26-20)18(25)8-4-5-15-13-21-17-7-3-2-6-16(15)17/h6-7,9-10,16-17,19,25H,4-5,8,11-15H2,1-3H3;6-7,9-10,16,18,24H,4-5,8,11-15H2,1-3H3;2-3,6-7,15-16,23H,4-5,8-14H2,1H3;2-3,6-7,13-14,21H,4-5,8-12H2,1H3
• InChIKey: FUEPHHBZJHZHMY-UHFFFAOYSA-N
• XLogP: 15.10
• TPSA: 228.29 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 30
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1645.31
LogP ≤ 5	15.10
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-indol-3-yl)hexan-2-yl]-N-methyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole-2-carboxamide;N-[1-(1H-indol-3-yl)hexan-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;4-(1H-indol-3-yl)-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]butan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one?

The IUPAC name of N-[1-(1H-indol-3-yl)hexan-2-yl]-N-methyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole-2-carboxamide;N-[1-(1H-indol-3-yl)hexan-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;4-(1H-indol-3-yl)-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]butan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one (CID 158143157) is N-[1-(1H-indol-3-yl)hexan-2-yl]-N-methyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole-2-carboxamide;N-[1-(1H-indol-3-yl)hexan-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;4-(1H-indol-3-yl)-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]butan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one.

What is the SMILES notation for N-[1-(1H-indol-3-yl)hexan-2-yl]-N-methyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole-2-carboxamide;N-[1-(1H-indol-3-yl)hexan-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;4-(1H-indol-3-yl)-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]butan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one?

The canonical SMILES for N-[1-(1H-indol-3-yl)hexan-2-yl]-N-methyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole-2-carboxamide;N-[1-(1H-indol-3-yl)hexan-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;4-(1H-indol-3-yl)-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]butan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one is CCCCC(Cc1c[nH]c2ccccc12)N(C)C(=O)c1cnc(N2CCN(C)CC2)s1.CCCCC(Cc1c[nH]c2ccccc12)N(C)C(=O)c1nnc(N2CCN(C)CC2)s1.CN1CCN(CCc2ncc(C(=O)CCCc3c[nH]c4ccccc34)s2)CC1.CN1CCN(c2ncc(C(=O)CCCc3c[nH]c4ccccc34)s2)CC1.

What is the InChIKey of N-[1-(1H-indol-3-yl)hexan-2-yl]-N-methyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole-2-carboxamide;N-[1-(1H-indol-3-yl)hexan-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;4-(1H-indol-3-yl)-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]butan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one?

The InChIKey is FUEPHHBZJHZHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5OS.C23H32N6OS.C22H28N4OS.C20H24N4OS/c1-4-5-8-19(15-18-16-25-21-10-7-6-9-20(18)21)28(3)23(30)22-17-26-24(31-22)29-13-11-27(2)12-14-29;1-4-5-8-18(15-17-16-24-20-10-7-6-9-19(17)20)28(3)22(30)21-25-26-23(31-21)29-13-11-27(2)12-14-29;1-25-11-13-26(14-12-25)10-9-22-24-16-21(28-22)20(27)8-4-5-17-15-23-19-7-3-2-6-18(17)19;1-23-9-11-24(12-10-23)20-22-14-19(26-20)18(25)8-4-5-15-13-21-17-7-3-2-6-16(15)17/h6-7,9-10,16-17,19,25H,4-5,8,11-15H2,1-3H3;6-7,9-10,16,18,24H,4-5,8,11-15H2,1-3H3;2-3,6-7,15-16,23H,4-5,8-14H2,1H3;2-3,6-7,13-14,21H,4-5,8-12H2,1H3.

What are the key properties of N-[1-(1H-indol-3-yl)hexan-2-yl]-N-methyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole-2-carboxamide;N-[1-(1H-indol-3-yl)hexan-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;4-(1H-indol-3-yl)-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]butan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one?

N-[1-(1H-indol-3-yl)hexan-2-yl]-N-methyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole-2-carboxamide;N-[1-(1H-indol-3-yl)hexan-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;4-(1H-indol-3-yl)-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]butan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one has a molecular weight of 1645.31 g/mol, XLogP of 15.10, 30 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(1H-indol-3-yl)hexan-2-yl]-N-methyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole-2-carboxamide;N-[1-(1H-indol-3-yl)hexan-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;4-(1H-indol-3-yl)-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]butan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one is sourced from PubChem (CID 158143157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).