3-(dimethylamino)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;3-(4-methylpiperazin-1-yl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-morpholin-4-ylbenzamide

C77H76N16O4S3 — CID 87962447

About 3-(dimethylamino)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;3-(4-methylpiperazin-1-yl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-morpholin-4-ylbenzamide

3-(dimethylamino)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;3-(4-methylpiperazin-1-yl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-morpholin-4-ylbenzamide (PubChem CID 87962447) has the molecular formula C77H76N16O4S3 and a molecular weight of 1385.76 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;3-(4-methylpiperazin-1-yl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-morpholin-4-ylbenzamide.

Molecular Properties

• Compound Name: 3-(dimethylamino)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;3-(4-methylpiperazin-1-yl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-morpholin-4-ylbenzamide
• PubChem CID: 87962447
• Molecular Formula: C77H76N16O4S3
• Molecular Weight: 1385.76 g/mol
• Exact Mass: 1384.54
• IUPAC Name: 3-(dimethylamino)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;3-(4-methylpiperazin-1-yl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-morpholin-4-ylbenzamide
• SMILES: Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1Nc1nc(-c2cccnc2)cs1.Cc1ccc(NC(=O)c2cccc(N3CCN(C)CC3)c2)cc1Nc1nc(-c2cccnc2)cs1.Cc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)cc1Nc1nc(-c2cccnc2)cs1
• InChI: InChI=1S/C27H28N6OS.C26H25N5O2S.C24H23N5OS/c1-19-8-9-22(16-24(19)30-27-31-25(18-35-27)21-6-4-10-28-17-21)29-26(34)20-5-3-7-23(15-20)33-13-11-32(2)12-14-33;1-18-7-8-21(15-23(18)29-26-30-24(17-34-26)20-5-3-9-27-16-20)28-25(32)19-4-2-6-22(14-19)31-10-12-33-13-11-31;1-16-9-10-19(26-23(30)17-6-4-8-20(12-17)29(2)3)13-21(16)27-24-28-22(15-31-24)18-7-5-11-25-14-18/h3-10,15-18H,11-14H2,1-2H3,(H,29,34)(H,30,31);2-9,14-17H,10-13H2,1H3,(H,28,32)(H,29,30);4-15H,1-3H3,(H,26,30)(H,27,28)
• InChIKey: ILYBBMURVJJGHU-UHFFFAOYSA-N
• XLogP: 16.18
• TPSA: 222.92 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 18
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1385.76
LogP ≤ 5	16.18
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;3-(4-methylpiperazin-1-yl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-morpholin-4-ylbenzamide?

The IUPAC name of 3-(dimethylamino)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;3-(4-methylpiperazin-1-yl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-morpholin-4-ylbenzamide (CID 87962447) is 3-(dimethylamino)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;3-(4-methylpiperazin-1-yl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-morpholin-4-ylbenzamide.

What is the SMILES notation for 3-(dimethylamino)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;3-(4-methylpiperazin-1-yl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-morpholin-4-ylbenzamide?

The canonical SMILES for 3-(dimethylamino)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;3-(4-methylpiperazin-1-yl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-morpholin-4-ylbenzamide is Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1Nc1nc(-c2cccnc2)cs1.Cc1ccc(NC(=O)c2cccc(N3CCN(C)CC3)c2)cc1Nc1nc(-c2cccnc2)cs1.Cc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)cc1Nc1nc(-c2cccnc2)cs1.

What is the InChIKey of 3-(dimethylamino)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;3-(4-methylpiperazin-1-yl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-morpholin-4-ylbenzamide?

The InChIKey is ILYBBMURVJJGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6OS.C26H25N5O2S.C24H23N5OS/c1-19-8-9-22(16-24(19)30-27-31-25(18-35-27)21-6-4-10-28-17-21)29-26(34)20-5-3-7-23(15-20)33-13-11-32(2)12-14-33;1-18-7-8-21(15-23(18)29-26-30-24(17-34-26)20-5-3-9-27-16-20)28-25(32)19-4-2-6-22(14-19)31-10-12-33-13-11-31;1-16-9-10-19(26-23(30)17-6-4-8-20(12-17)29(2)3)13-21(16)27-24-28-22(15-31-24)18-7-5-11-25-14-18/h3-10,15-18H,11-14H2,1-2H3,(H,29,34)(H,30,31);2-9,14-17H,10-13H2,1H3,(H,28,32)(H,29,30);4-15H,1-3H3,(H,26,30)(H,27,28).

What are the key properties of 3-(dimethylamino)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;3-(4-methylpiperazin-1-yl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-morpholin-4-ylbenzamide?

3-(dimethylamino)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;3-(4-methylpiperazin-1-yl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-morpholin-4-ylbenzamide has a molecular weight of 1385.76 g/mol, XLogP of 16.18, 18 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(dimethylamino)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;3-(4-methylpiperazin-1-yl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-morpholin-4-ylbenzamide is sourced from PubChem (CID 87962447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).