3-cyano-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;2-fluoro-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;2-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]aniline;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]-4-pyridin-4-ylbenzamide

C118H99F4N21O6S5 — CID 173171307

About 3-cyano-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;2-fluoro-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;2-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]aniline;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]-4-pyridin-4-ylbenzamide

3-cyano-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;2-fluoro-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;2-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]aniline;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]-4-pyridin-4-ylbenzamide (PubChem CID 173171307) has the molecular formula C118H99F4N21O6S5 and a molecular weight of 2143.56 g/mol. Its IUPAC name is 3-cyano-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;2-fluoro-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;2-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]aniline;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]-4-pyridin-4-ylbenzamide.

Molecular Properties

• Compound Name: 3-cyano-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;2-fluoro-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;2-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]aniline;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]-4-pyridin-4-ylbenzamide
• PubChem CID: 173171307
• Molecular Formula: C118H99F4N21O6S5
• Molecular Weight: 2143.56 g/mol
• Exact Mass: 2141.66
• IUPAC Name: 3-cyano-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;2-fluoro-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;2-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]aniline;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]-4-pyridin-4-ylbenzamide
• SMILES: Cc1ccc(-c2c(OCCN3CCOCC3)cccc2C(N)=O)cc1Nc1nc(-c2cccnc2)cs1.Cc1ccc(N)cc1Cc1nc(-c2cccnc2)cs1.Cc1ccc(NC(=O)c2ccc(-c3ccncc3)cc2)cc1Cc1nc(-c2cccnc2)cs1.Cc1ccc(NC(=O)c2cccc(C#N)c2)cc1Nc1nc(-c2cccnc2)cs1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2F)cc1Nc1nc(-c2cccnc2)cs1
• InChI: InChI=1S/C28H29N5O3S.C28H22N4OS.C23H16F4N4OS.C23H17N5OS.C16H15N3S/c1-19-7-8-20(16-23(19)31-28-32-24(18-37-28)21-4-3-9-30-17-21)26-22(27(29)34)5-2-6-25(26)36-15-12-33-10-13-35-14-11-33;1-19-4-9-25(15-24(19)16-27-32-26(18-34-27)23-3-2-12-30-17-23)31-28(33)22-7-5-20(6-8-22)21-10-13-29-14-11-21;1-13-7-8-15(29-21(32)16-5-2-6-17(20(16)24)23(25,26)27)10-18(13)30-22-31-19(12-33-22)14-4-3-9-28-11-14;1-15-7-8-19(26-22(29)17-5-2-4-16(10-17)12-24)11-20(15)27-23-28-21(14-30-23)18-6-3-9-25-13-18;1-11-4-5-14(17)7-13(11)8-16-19-15(10-20-16)12-3-2-6-18-9-12/h2-9,16-18H,10-15H2,1H3,(H2,29,34)(H,31,32);2-15,17-18H,16H2,1H3,(H,31,33);2-12H,1H3,(H,29,32)(H,30,31);2-11,13-14H,1H3,(H,26,29)(H,27,28);2-7,9-10H,8,17H2,1H3
• InChIKey: IQDJAQOYXROUAT-UHFFFAOYSA-N
• XLogP: 26.89
• TPSA: 379.78 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 28
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2143.56
LogP ≤ 5	26.89
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 3-cyano-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;2-fluoro-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;2-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]aniline;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]-4-pyridin-4-ylbenzamide (CID 173171307) is 3-cyano-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;2-fluoro-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;2-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]aniline;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]-4-pyridin-4-ylbenzamide.

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

The canonical SMILES for 3-cyano-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;2-fluoro-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;2-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]aniline;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]-4-pyridin-4-ylbenzamide is Cc1ccc(-c2c(OCCN3CCOCC3)cccc2C(N)=O)cc1Nc1nc(-c2cccnc2)cs1.Cc1ccc(N)cc1Cc1nc(-c2cccnc2)cs1.Cc1ccc(NC(=O)c2ccc(-c3ccncc3)cc2)cc1Cc1nc(-c2cccnc2)cs1.Cc1ccc(NC(=O)c2cccc(C#N)c2)cc1Nc1nc(-c2cccnc2)cs1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2F)cc1Nc1nc(-c2cccnc2)cs1.

What is the InChIKey of 3-cyano-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;2-fluoro-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;2-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]aniline;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]-4-pyridin-4-ylbenzamide?

The InChIKey is IQDJAQOYXROUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O3S.C28H22N4OS.C23H16F4N4OS.C23H17N5OS.C16H15N3S/c1-19-7-8-20(16-23(19)31-28-32-24(18-37-28)21-4-3-9-30-17-21)26-22(27(29)34)5-2-6-25(26)36-15-12-33-10-13-35-14-11-33;1-19-4-9-25(15-24(19)16-27-32-26(18-34-27)23-3-2-12-30-17-23)31-28(33)22-7-5-20(6-8-22)21-10-13-29-14-11-21;1-13-7-8-15(29-21(32)16-5-2-6-17(20(16)24)23(25,26)27)10-18(13)30-22-31-19(12-33-22)14-4-3-9-28-11-14;1-15-7-8-19(26-22(29)17-5-2-4-16(10-17)12-24)11-20(15)27-23-28-21(14-30-23)18-6-3-9-25-13-18;1-11-4-5-14(17)7-13(11)8-16-19-15(10-20-16)12-3-2-6-18-9-12/h2-9,16-18H,10-15H2,1H3,(H2,29,34)(H,31,32);2-15,17-18H,16H2,1H3,(H,31,33);2-12H,1H3,(H,29,32)(H,30,31);2-11,13-14H,1H3,(H,26,29)(H,27,28);2-7,9-10H,8,17H2,1H3.

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

3-cyano-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;2-fluoro-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;2-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]aniline;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]-4-pyridin-4-ylbenzamide has a molecular weight of 2143.56 g/mol, XLogP of 26.89, 28 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyano-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;2-fluoro-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;2-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]aniline;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]-4-pyridin-4-ylbenzamide is sourced from PubChem (CID 173171307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).