4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(4-pyrimidin-4-yl-1,3-thiazol-2-yl)amino]benzamide;4-methyl-N-(morpholin-4-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;4-methyl-N-(4-morpholin-4-ylphenyl)-3-[(4-pyrimidin-4-yl-1,3-thiazol-2-yl)amino]benzamide;4-methyl-N-(oxolan-3-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;4-[[[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoyl]amino]methyl]piperazine-1-carboxamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-(pyrrolidin-3-ylmethyl)benzamide

C136H144N34O10S6 — CID 157174676

About 4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(4-pyrimidin-4-yl-1,3-thiazol-2-yl)amino]benzamide;4-methyl-N-(morpholin-4-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;4-methyl-N-(4-morpholin-4-ylphenyl)-3-[(4-pyrimidin-4-yl-1,3-thiazol-2-yl)amino]benzamide;4-methyl-N-(oxolan-3-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;4-[[[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoyl]amino]methyl]piperazine-1-carboxamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-(pyrrolidin-3-ylmethyl)benzamide

4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(4-pyrimidin-4-yl-1,3-thiazol-2-yl)amino]benzamide;4-methyl-N-(morpholin-4-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;4-methyl-N-(4-morpholin-4-ylphenyl)-3-[(4-pyrimidin-4-yl-1,3-thiazol-2-yl)amino]benzamide;4-methyl-N-(oxolan-3-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;4-[[[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoyl]amino]methyl]piperazine-1-carboxamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-(pyrrolidin-3-ylmethyl)benzamide (PubChem CID 157174676) has the molecular formula C136H144N34O10S6 and a molecular weight of 2607.28 g/mol. Its IUPAC name is 4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(4-pyrimidin-4-yl-1,3-thiazol-2-yl)amino]benzamide;4-methyl-N-(morpholin-4-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;4-methyl-N-(4-morpholin-4-ylphenyl)-3-[(4-pyrimidin-4-yl-1,3-thiazol-2-yl)amino]benzamide;4-methyl-N-(oxolan-3-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;4-[[[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoyl]amino]methyl]piperazine-1-carboxamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-(pyrrolidin-3-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(4-pyrimidin-4-yl-1,3-thiazol-2-yl)amino]benzamide;4-methyl-N-(morpholin-4-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;4-methyl-N-(4-morpholin-4-ylphenyl)-3-[(4-pyrimidin-4-yl-1,3-thiazol-2-yl)amino]benzamide;4-methyl-N-(oxolan-3-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;4-[[[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoyl]amino]methyl]piperazine-1-carboxamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-(pyrrolidin-3-ylmethyl)benzamide
• PubChem CID: 157174676
• Molecular Formula: C136H144N34O10S6
• Molecular Weight: 2607.28 g/mol
• Exact Mass: 2605.01
• IUPAC Name: 4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(4-pyrimidin-4-yl-1,3-thiazol-2-yl)amino]benzamide;4-methyl-N-(morpholin-4-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;4-methyl-N-(4-morpholin-4-ylphenyl)-3-[(4-pyrimidin-4-yl-1,3-thiazol-2-yl)amino]benzamide;4-methyl-N-(oxolan-3-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;4-[[[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoyl]amino]methyl]piperazine-1-carboxamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-(pyrrolidin-3-ylmethyl)benzamide
• SMILES: Cc1ccc(C(=O)NCC2CCNC2)cc1Nc1nc(-c2cccnc2)cs1.Cc1ccc(C(=O)NCC2CCOC2)cc1Nc1nc(-c2cccnc2)cs1.Cc1ccc(C(=O)NCN2CCN(C(N)=O)CC2)cc1Nc1nc(-c2cccnc2)cs1.Cc1ccc(C(=O)NCN2CCOCC2)cc1Nc1nc(-c2cccnc2)cs1.Cc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1Nc1nc(-c2ccncn2)cs1.Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1Nc1nc(-c2ccncn2)cs1
• InChI: InChI=1S/C26H27N7OS.C25H24N6O2S.C22H25N7O2S.C21H23N5O2S.C21H23N5OS.C21H22N4O2S/c1-18-3-4-19(15-23(18)30-26-31-24(16-35-26)22-9-10-27-17-28-22)25(34)29-20-5-7-21(8-6-20)33-13-11-32(2)12-14-33;1-17-2-3-18(14-22(17)29-25-30-23(15-34-25)21-8-9-26-16-27-21)24(32)28-19-4-6-20(7-5-19)31-10-12-33-13-11-31;1-15-4-5-16(20(30)25-14-28-7-9-29(10-8-28)21(23)31)11-18(15)26-22-27-19(13-32-22)17-3-2-6-24-12-17;1-15-4-5-16(20(27)23-14-26-7-9-28-10-8-26)11-18(15)24-21-25-19(13-29-21)17-3-2-6-22-12-17;1-14-4-5-16(20(27)24-11-15-6-8-23-10-15)9-18(14)25-21-26-19(13-28-21)17-3-2-7-22-12-17;1-14-4-5-16(20(26)23-10-15-6-8-27-12-15)9-18(14)24-21-25-19(13-28-21)17-3-2-7-22-11-17/h3-10,15-17H,11-14H2,1-2H3,(H,29,34)(H,30,31);2-9,14-16H,10-13H2,1H3,(H,28,32)(H,29,30);2-6,11-13H,7-10,14H2,1H3,(H2,23,31)(H,25,30)(H,26,27);2-6,11-13H,7-10,14H2,1H3,(H,23,27)(H,24,25);2-5,7,9,12-13,15,23H,6,8,10-11H2,1H3,(H,24,27)(H,25,26);2-5,7,9,11,13,15H,6,8,10,12H2,1H3,(H,23,26)(H,24,25)
• InChIKey: ANWGHRQVTONBIF-UHFFFAOYSA-N
• XLogP: 22.93
• TPSA: 529.49 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 42
• Rotatable Bonds: 36
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2607.28
LogP ≤ 5	22.93
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(4-pyrimidin-4-yl-1,3-thiazol-2-yl)amino]benzamide;4-methyl-N-(morpholin-4-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;4-methyl-N-(4-morpholin-4-ylphenyl)-3-[(4-pyrimidin-4-yl-1,3-thiazol-2-yl)amino]benzamide;4-methyl-N-(oxolan-3-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;4-[[[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoyl]amino]methyl]piperazine-1-carboxamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-(pyrrolidin-3-ylmethyl)benzamide?

The IUPAC name of 4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(4-pyrimidin-4-yl-1,3-thiazol-2-yl)amino]benzamide;4-methyl-N-(morpholin-4-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;4-methyl-N-(4-morpholin-4-ylphenyl)-3-[(4-pyrimidin-4-yl-1,3-thiazol-2-yl)amino]benzamide;4-methyl-N-(oxolan-3-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;4-[[[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoyl]amino]methyl]piperazine-1-carboxamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-(pyrrolidin-3-ylmethyl)benzamide (CID 157174676) is 4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(4-pyrimidin-4-yl-1,3-thiazol-2-yl)amino]benzamide;4-methyl-N-(morpholin-4-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;4-methyl-N-(4-morpholin-4-ylphenyl)-3-[(4-pyrimidin-4-yl-1,3-thiazol-2-yl)amino]benzamide;4-methyl-N-(oxolan-3-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;4-[[[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoyl]amino]methyl]piperazine-1-carboxamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-(pyrrolidin-3-ylmethyl)benzamide.

What is the SMILES notation for 4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(4-pyrimidin-4-yl-1,3-thiazol-2-yl)amino]benzamide;4-methyl-N-(morpholin-4-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;4-methyl-N-(4-morpholin-4-ylphenyl)-3-[(4-pyrimidin-4-yl-1,3-thiazol-2-yl)amino]benzamide;4-methyl-N-(oxolan-3-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;4-[[[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoyl]amino]methyl]piperazine-1-carboxamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-(pyrrolidin-3-ylmethyl)benzamide?

The canonical SMILES for 4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(4-pyrimidin-4-yl-1,3-thiazol-2-yl)amino]benzamide;4-methyl-N-(morpholin-4-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;4-methyl-N-(4-morpholin-4-ylphenyl)-3-[(4-pyrimidin-4-yl-1,3-thiazol-2-yl)amino]benzamide;4-methyl-N-(oxolan-3-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;4-[[[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoyl]amino]methyl]piperazine-1-carboxamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-(pyrrolidin-3-ylmethyl)benzamide is Cc1ccc(C(=O)NCC2CCNC2)cc1Nc1nc(-c2cccnc2)cs1.Cc1ccc(C(=O)NCC2CCOC2)cc1Nc1nc(-c2cccnc2)cs1.Cc1ccc(C(=O)NCN2CCN(C(N)=O)CC2)cc1Nc1nc(-c2cccnc2)cs1.Cc1ccc(C(=O)NCN2CCOCC2)cc1Nc1nc(-c2cccnc2)cs1.Cc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1Nc1nc(-c2ccncn2)cs1.Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1Nc1nc(-c2ccncn2)cs1.

What is the InChIKey of 4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(4-pyrimidin-4-yl-1,3-thiazol-2-yl)amino]benzamide;4-methyl-N-(morpholin-4-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;4-methyl-N-(4-morpholin-4-ylphenyl)-3-[(4-pyrimidin-4-yl-1,3-thiazol-2-yl)amino]benzamide;4-methyl-N-(oxolan-3-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;4-[[[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoyl]amino]methyl]piperazine-1-carboxamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-(pyrrolidin-3-ylmethyl)benzamide?

The InChIKey is ANWGHRQVTONBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7OS.C25H24N6O2S.C22H25N7O2S.C21H23N5O2S.C21H23N5OS.C21H22N4O2S/c1-18-3-4-19(15-23(18)30-26-31-24(16-35-26)22-9-10-27-17-28-22)25(34)29-20-5-7-21(8-6-20)33-13-11-32(2)12-14-33;1-17-2-3-18(14-22(17)29-25-30-23(15-34-25)21-8-9-26-16-27-21)24(32)28-19-4-6-20(7-5-19)31-10-12-33-13-11-31;1-15-4-5-16(20(30)25-14-28-7-9-29(10-8-28)21(23)31)11-18(15)26-22-27-19(13-32-22)17-3-2-6-24-12-17;1-15-4-5-16(20(27)23-14-26-7-9-28-10-8-26)11-18(15)24-21-25-19(13-29-21)17-3-2-6-22-12-17;1-14-4-5-16(20(27)24-11-15-6-8-23-10-15)9-18(14)25-21-26-19(13-28-21)17-3-2-7-22-12-17;1-14-4-5-16(20(26)23-10-15-6-8-27-12-15)9-18(14)24-21-25-19(13-28-21)17-3-2-7-22-11-17/h3-10,15-17H,11-14H2,1-2H3,(H,29,34)(H,30,31);2-9,14-16H,10-13H2,1H3,(H,28,32)(H,29,30);2-6,11-13H,7-10,14H2,1H3,(H2,23,31)(H,25,30)(H,26,27);2-6,11-13H,7-10,14H2,1H3,(H,23,27)(H,24,25);2-5,7,9,12-13,15,23H,6,8,10-11H2,1H3,(H,24,27)(H,25,26);2-5,7,9,11,13,15H,6,8,10,12H2,1H3,(H,23,26)(H,24,25).

What are the key properties of 4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(4-pyrimidin-4-yl-1,3-thiazol-2-yl)amino]benzamide;4-methyl-N-(morpholin-4-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;4-methyl-N-(4-morpholin-4-ylphenyl)-3-[(4-pyrimidin-4-yl-1,3-thiazol-2-yl)amino]benzamide;4-methyl-N-(oxolan-3-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;4-[[[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoyl]amino]methyl]piperazine-1-carboxamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-(pyrrolidin-3-ylmethyl)benzamide?

4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(4-pyrimidin-4-yl-1,3-thiazol-2-yl)amino]benzamide;4-methyl-N-(morpholin-4-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;4-methyl-N-(4-morpholin-4-ylphenyl)-3-[(4-pyrimidin-4-yl-1,3-thiazol-2-yl)amino]benzamide;4-methyl-N-(oxolan-3-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;4-[[[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoyl]amino]methyl]piperazine-1-carboxamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-(pyrrolidin-3-ylmethyl)benzamide has a molecular weight of 2607.28 g/mol, XLogP of 22.93, 36 rotatable bonds, 14 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(4-pyrimidin-4-yl-1,3-thiazol-2-yl)amino]benzamide;4-methyl-N-(morpholin-4-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;4-methyl-N-(4-morpholin-4-ylphenyl)-3-[(4-pyrimidin-4-yl-1,3-thiazol-2-yl)amino]benzamide;4-methyl-N-(oxolan-3-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;4-[[[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoyl]amino]methyl]piperazine-1-carboxamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-(pyrrolidin-3-ylmethyl)benzamide is sourced from PubChem (CID 157174676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).