2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-[(1S)-1-phenylethyl]pyridine-2,4-diamine;methyl 4-[[2-(2-methoxy-5-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;methyl 5-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-1,3-thiazole-4-carboxylate;N-methyl-2-[[2-(pyridin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide

C112H113F12N25O10S4 — CID 160821945

About 2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-[(1S)-1-phenylethyl]pyridine-2,4-diamine;methyl 4-[[2-(2-methoxy-5-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;methyl 5-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-1,3-thiazole-4-carboxylate;N-methyl-2-[[2-(pyridin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide

2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-[(1S)-1-phenylethyl]pyridine-2,4-diamine;methyl 4-[[2-(2-methoxy-5-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;methyl 5-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-1,3-thiazole-4-carboxylate;N-methyl-2-[[2-(pyridin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (PubChem CID 160821945) has the molecular formula C112H113F12N25O10S4 and a molecular weight of 2325.54 g/mol. Its IUPAC name is 2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-[(1S)-1-phenylethyl]pyridine-2,4-diamine;methyl 4-[[2-(2-methoxy-5-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;methyl 5-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-1,3-thiazole-4-carboxylate;N-methyl-2-[[2-(pyridin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.

Molecular Properties

• Compound Name: 2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-[(1S)-1-phenylethyl]pyridine-2,4-diamine;methyl 4-[[2-(2-methoxy-5-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;methyl 5-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-1,3-thiazole-4-carboxylate;N-methyl-2-[[2-(pyridin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
• PubChem CID: 160821945
• Molecular Formula: C112H113F12N25O10S4
• Molecular Weight: 2325.54 g/mol
• Exact Mass: 2323.78
• IUPAC Name: 2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-[(1S)-1-phenylethyl]pyridine-2,4-diamine;methyl 4-[[2-(2-methoxy-5-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;methyl 5-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-1,3-thiazole-4-carboxylate;N-methyl-2-[[2-(pyridin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
• SMILES: CNC(=O)c1ccccc1Nc1cc(Nc2ccccn2)ncc1C(F)(F)F.COC(=O)c1ncsc1Nc1cc(Nc2ccc(N3CCCCC3)cc2OC)ncc1C(F)(F)F.COC(=O)c1sc(SC)nc1Nc1cc(Nc2cc(N3CCOCC3)ccc2OC)ncc1C(F)(F)F.COc1cc(N2CCCCC2)ccc1Nc1cc(N[C@@H](C)c2ccccc2)c(C)cn1.COc1ccc(C)cc1Nc1cc(Nc2ncsc2-c2ncccn2)c(C(F)(F)F)cn1
• InChI: InChI=1S/C26H32N4O.C23H24F3N5O4S2.C23H24F3N5O3S.C21H17F3N6OS.C19H16F3N5O/c1-19-18-27-26(17-24(19)28-20(2)21-10-6-4-7-11-21)29-23-13-12-22(16-25(23)31-3)30-14-8-5-9-15-30;1-33-17-5-4-13(31-6-8-35-9-7-31)10-16(17)28-18-11-15(14(12-27-18)23(24,25)26)29-20-19(21(32)34-2)37-22(30-20)36-3;1-33-18-10-14(31-8-4-3-5-9-31)6-7-16(18)29-19-11-17(15(12-27-19)23(24,25)26)30-21-20(22(32)34-2)28-13-35-21;1-12-4-5-16(31-2)15(8-12)29-17-9-14(13(10-27-17)21(22,23)24)30-20-18(32-11-28-20)19-25-6-3-7-26-19;1-23-18(28)12-6-2-3-7-14(12)26-15-10-17(25-11-13(15)19(20,21)22)27-16-8-4-5-9-24-16/h4,6-7,10-13,16-18,20H,5,8-9,14-15H2,1-3H3,(H2,27,28,29);4-5,10-12H,6-9H2,1-3H3,(H2,27,28,29);6-7,10-13H,3-5,8-9H2,1-2H3,(H2,27,29,30);3-11H,1-2H3,(H2,27,29,30);2-11H,1H3,(H,23,28)(H2,24,25,26,27)/t20-;;;;/m0..../s1
• InChIKey: SFQVVIZFOJCTBJ-YAVGSXOASA-N
• XLogP: 27.69
• TPSA: 399.66 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 38
• Rotatable Bonds: 33
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2325.54
LogP ≤ 5	27.69
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-[(1S)-1-phenylethyl]pyridine-2,4-diamine;methyl 4-[[2-(2-methoxy-5-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;methyl 5-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-1,3-thiazole-4-carboxylate;N-methyl-2-[[2-(pyridin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?

The IUPAC name of 2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-[(1S)-1-phenylethyl]pyridine-2,4-diamine;methyl 4-[[2-(2-methoxy-5-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;methyl 5-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-1,3-thiazole-4-carboxylate;N-methyl-2-[[2-(pyridin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (CID 160821945) is 2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-[(1S)-1-phenylethyl]pyridine-2,4-diamine;methyl 4-[[2-(2-methoxy-5-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;methyl 5-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-1,3-thiazole-4-carboxylate;N-methyl-2-[[2-(pyridin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.

What is the SMILES notation for 2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-[(1S)-1-phenylethyl]pyridine-2,4-diamine;methyl 4-[[2-(2-methoxy-5-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;methyl 5-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-1,3-thiazole-4-carboxylate;N-methyl-2-[[2-(pyridin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?

The canonical SMILES for 2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-[(1S)-1-phenylethyl]pyridine-2,4-diamine;methyl 4-[[2-(2-methoxy-5-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;methyl 5-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-1,3-thiazole-4-carboxylate;N-methyl-2-[[2-(pyridin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is CNC(=O)c1ccccc1Nc1cc(Nc2ccccn2)ncc1C(F)(F)F.COC(=O)c1ncsc1Nc1cc(Nc2ccc(N3CCCCC3)cc2OC)ncc1C(F)(F)F.COC(=O)c1sc(SC)nc1Nc1cc(Nc2cc(N3CCOCC3)ccc2OC)ncc1C(F)(F)F.COc1cc(N2CCCCC2)ccc1Nc1cc(N[C@@H](C)c2ccccc2)c(C)cn1.COc1ccc(C)cc1Nc1cc(Nc2ncsc2-c2ncccn2)c(C(F)(F)F)cn1.

What is the InChIKey of 2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-[(1S)-1-phenylethyl]pyridine-2,4-diamine;methyl 4-[[2-(2-methoxy-5-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;methyl 5-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-1,3-thiazole-4-carboxylate;N-methyl-2-[[2-(pyridin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?

The InChIKey is SFQVVIZFOJCTBJ-YAVGSXOASA-N. The full InChI is InChI=1S/C26H32N4O.C23H24F3N5O4S2.C23H24F3N5O3S.C21H17F3N6OS.C19H16F3N5O/c1-19-18-27-26(17-24(19)28-20(2)21-10-6-4-7-11-21)29-23-13-12-22(16-25(23)31-3)30-14-8-5-9-15-30;1-33-17-5-4-13(31-6-8-35-9-7-31)10-16(17)28-18-11-15(14(12-27-18)23(24,25)26)29-20-19(21(32)34-2)37-22(30-20)36-3;1-33-18-10-14(31-8-4-3-5-9-31)6-7-16(18)29-19-11-17(15(12-27-19)23(24,25)26)30-21-20(22(32)34-2)28-13-35-21;1-12-4-5-16(31-2)15(8-12)29-17-9-14(13(10-27-17)21(22,23)24)30-20-18(32-11-28-20)19-25-6-3-7-26-19;1-23-18(28)12-6-2-3-7-14(12)26-15-10-17(25-11-13(15)19(20,21)22)27-16-8-4-5-9-24-16/h4,6-7,10-13,16-18,20H,5,8-9,14-15H2,1-3H3,(H2,27,28,29);4-5,10-12H,6-9H2,1-3H3,(H2,27,28,29);6-7,10-13H,3-5,8-9H2,1-2H3,(H2,27,29,30);3-11H,1-2H3,(H2,27,29,30);2-11H,1H3,(H,23,28)(H2,24,25,26,27)/t20-;;;;/m0..../s1.

What are the key properties of 2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-[(1S)-1-phenylethyl]pyridine-2,4-diamine;methyl 4-[[2-(2-methoxy-5-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;methyl 5-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-1,3-thiazole-4-carboxylate;N-methyl-2-[[2-(pyridin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?

2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-[(1S)-1-phenylethyl]pyridine-2,4-diamine;methyl 4-[[2-(2-methoxy-5-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;methyl 5-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-1,3-thiazole-4-carboxylate;N-methyl-2-[[2-(pyridin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide has a molecular weight of 2325.54 g/mol, XLogP of 27.69, 33 rotatable bonds, 11 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-[(1S)-1-phenylethyl]pyridine-2,4-diamine;methyl 4-[[2-(2-methoxy-5-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;methyl 5-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-1,3-thiazole-4-carboxylate;N-methyl-2-[[2-(pyridin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is sourced from PubChem (CID 160821945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).