2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)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;N-methyl-2-[[2-(pyridin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide

C63H57F9N16O6S3 — CID 123820540

About 2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)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;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;methyl 4-[[2-(2-methoxy-5-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;N-methyl-2-[[2-(pyridin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (PubChem CID 123820540) has the molecular formula C63H57F9N16O6S3 and a molecular weight of 1401.44 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;methyl 4-[[2-(2-methoxy-5-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-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;methyl 4-[[2-(2-methoxy-5-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;N-methyl-2-[[2-(pyridin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
• PubChem CID: 123820540
• Molecular Formula: C63H57F9N16O6S3
• Molecular Weight: 1401.44 g/mol
• Exact Mass: 1400.37
• 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;methyl 4-[[2-(2-methoxy-5-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-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)c1sc(SC)nc1Nc1cc(Nc2cc(N3CCOCC3)ccc2OC)ncc1C(F)(F)F.COc1ccc(C)cc1Nc1cc(Nc2ncsc2-c2ncccn2)c(C(F)(F)F)cn1
• InChI: InChI=1S/C23H24F3N5O4S2.C21H17F3N6OS.C19H16F3N5O/c1-33-17-5-4-13(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;1-12-4-5-16(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/h4-5,10-12H,6-9H2,1-3H3,(H2,27,28,29);3-11H,1-2H3,(H2,27,29,30);2-11H,1H3,(H,23,28)(H2,24,25,26,27)
• InChIKey: GUZGZTPCHVYEJL-UHFFFAOYSA-N
• XLogP: 15.56
• TPSA: 261.63 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 19
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1401.44
LogP ≤ 5	15.56
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

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;methyl 4-[[2-(2-methoxy-5-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-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;methyl 4-[[2-(2-methoxy-5-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;N-methyl-2-[[2-(pyridin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (CID 123820540) is 2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)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;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;methyl 4-[[2-(2-methoxy-5-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-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;methyl 4-[[2-(2-methoxy-5-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-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)c1sc(SC)nc1Nc1cc(Nc2cc(N3CCOCC3)ccc2OC)ncc1C(F)(F)F.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;methyl 4-[[2-(2-methoxy-5-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;N-methyl-2-[[2-(pyridin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?

The InChIKey is GUZGZTPCHVYEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O4S2.C21H17F3N6OS.C19H16F3N5O/c1-33-17-5-4-13(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;1-12-4-5-16(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/h4-5,10-12H,6-9H2,1-3H3,(H2,27,28,29);3-11H,1-2H3,(H2,27,29,30);2-11H,1H3,(H,23,28)(H2,24,25,26,27).

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;methyl 4-[[2-(2-methoxy-5-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-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;methyl 4-[[2-(2-methoxy-5-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;N-methyl-2-[[2-(pyridin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide has a molecular weight of 1401.44 g/mol, XLogP of 15.56, 19 rotatable bonds, 7 hydrogen bond donors, and 24 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;methyl 4-[[2-(2-methoxy-5-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;N-methyl-2-[[2-(pyridin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is sourced from PubChem (CID 123820540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).