2-[4-methyl-3-[[4-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[[4-[5-(3-methyl-1,2-thiazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,3,4-thiadiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone

C136H138N26O4S4 — CID 161187102

About 2-[4-methyl-3-[[4-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[[4-[5-(3-methyl-1,2-thiazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,3,4-thiadiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone

2-[4-methyl-3-[[4-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[[4-[5-(3-methyl-1,2-thiazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,3,4-thiadiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone (PubChem CID 161187102) has the molecular formula C136H138N26O4S4 and a molecular weight of 2329.05 g/mol. Its IUPAC name is 2-[4-methyl-3-[[4-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[[4-[5-(3-methyl-1,2-thiazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,3,4-thiadiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone.

Molecular Properties

• Compound Name: 2-[4-methyl-3-[[4-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[[4-[5-(3-methyl-1,2-thiazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,3,4-thiadiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone
• PubChem CID: 161187102
• Molecular Formula: C136H138N26O4S4
• Molecular Weight: 2329.05 g/mol
• Exact Mass: 2327.03
• IUPAC Name: 2-[4-methyl-3-[[4-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[[4-[5-(3-methyl-1,2-thiazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,3,4-thiadiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone
• SMILES: Cc1ccc(CC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Cc1nccc(-c2cncc(-c3csnc3C)c2)n1.Cc1ccc(CC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Cc1nccc(-c2cncc(-c3nccs3)c2)n1.Cc1ccc(CC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Cc1nccc(-c2cncc(-c3nncs3)c2)n1.Cc1nnc(-c2cncc(-c3ccnc(Cc4cc(CC(=O)c5ccc(CN6CCN(C)CC6)cc5)ccc4C)n3)c2)s1
• InChI: InChI=1S/C35H36N6OS.C34H35N7OS.C34H34N6OS.C33H33N7OS/c1-24-4-5-27(17-34(42)28-8-6-26(7-9-28)22-41-14-12-40(3)13-15-41)16-29(24)19-35-37-11-10-33(38-35)31-18-30(20-36-21-31)32-23-43-39-25(32)2;1-23-4-5-26(17-32(42)27-8-6-25(7-9-27)22-41-14-12-40(3)13-15-41)16-28(23)19-33-36-11-10-31(37-33)29-18-30(21-35-20-29)34-39-38-24(2)43-34;1-24-3-4-26(18-32(41)27-7-5-25(6-8-27)23-40-14-12-39(2)13-15-40)17-28(24)20-33-36-10-9-31(38-33)29-19-30(22-35-21-29)34-37-11-16-42-34;1-23-3-4-25(16-31(41)26-7-5-24(6-8-26)21-40-13-11-39(2)12-14-40)15-27(23)18-32-35-10-9-30(37-32)28-17-29(20-34-19-28)33-38-36-22-42-33/h4-11,16,18,20-21,23H,12-15,17,19,22H2,1-3H3;4-11,16,18,20-21H,12-15,17,19,22H2,1-3H3;3-11,16-17,19,21-22H,12-15,18,20,23H2,1-2H3;3-10,15,17,19-20,22H,11-14,16,18,21H2,1-2H3
• InChIKey: UTFMLAKRMCMQLW-UHFFFAOYSA-N
• XLogP: 22.34
• TPSA: 326.22 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 36
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2329.05
LogP ≤ 5	22.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-3-[[4-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[[4-[5-(3-methyl-1,2-thiazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,3,4-thiadiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone?

The IUPAC name of 2-[4-methyl-3-[[4-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[[4-[5-(3-methyl-1,2-thiazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,3,4-thiadiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone (CID 161187102) is 2-[4-methyl-3-[[4-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[[4-[5-(3-methyl-1,2-thiazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,3,4-thiadiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone.

What is the SMILES notation for 2-[4-methyl-3-[[4-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[[4-[5-(3-methyl-1,2-thiazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,3,4-thiadiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone?

The canonical SMILES for 2-[4-methyl-3-[[4-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[[4-[5-(3-methyl-1,2-thiazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,3,4-thiadiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone is Cc1ccc(CC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Cc1nccc(-c2cncc(-c3csnc3C)c2)n1.Cc1ccc(CC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Cc1nccc(-c2cncc(-c3nccs3)c2)n1.Cc1ccc(CC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Cc1nccc(-c2cncc(-c3nncs3)c2)n1.Cc1nnc(-c2cncc(-c3ccnc(Cc4cc(CC(=O)c5ccc(CN6CCN(C)CC6)cc5)ccc4C)n3)c2)s1.

What is the InChIKey of 2-[4-methyl-3-[[4-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[[4-[5-(3-methyl-1,2-thiazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,3,4-thiadiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone?

The InChIKey is UTFMLAKRMCMQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36N6OS.C34H35N7OS.C34H34N6OS.C33H33N7OS/c1-24-4-5-27(17-34(42)28-8-6-26(7-9-28)22-41-14-12-40(3)13-15-41)16-29(24)19-35-37-11-10-33(38-35)31-18-30(20-36-21-31)32-23-43-39-25(32)2;1-23-4-5-26(17-32(42)27-8-6-25(7-9-27)22-41-14-12-40(3)13-15-41)16-28(23)19-33-36-11-10-31(37-33)29-18-30(21-35-20-29)34-39-38-24(2)43-34;1-24-3-4-26(18-32(41)27-7-5-25(6-8-27)23-40-14-12-39(2)13-15-40)17-28(24)20-33-36-10-9-31(38-33)29-19-30(22-35-21-29)34-37-11-16-42-34;1-23-3-4-25(16-31(41)26-7-5-24(6-8-26)21-40-13-11-39(2)12-14-40)15-27(23)18-32-35-10-9-30(37-32)28-17-29(20-34-19-28)33-38-36-22-42-33/h4-11,16,18,20-21,23H,12-15,17,19,22H2,1-3H3;4-11,16,18,20-21H,12-15,17,19,22H2,1-3H3;3-11,16-17,19,21-22H,12-15,18,20,23H2,1-2H3;3-10,15,17,19-20,22H,11-14,16,18,21H2,1-2H3.

What are the key properties of 2-[4-methyl-3-[[4-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[[4-[5-(3-methyl-1,2-thiazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,3,4-thiadiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone?

2-[4-methyl-3-[[4-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[[4-[5-(3-methyl-1,2-thiazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,3,4-thiadiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone has a molecular weight of 2329.05 g/mol, XLogP of 22.34, 36 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-methyl-3-[[4-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[[4-[5-(3-methyl-1,2-thiazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,3,4-thiadiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone is sourced from PubChem (CID 161187102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).