5-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-1,3-thiazole-4-carboxamide;2-methoxy-4-morpholin-4-ylaniline;5-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-1,3-thiazole-4-carboxamide

C44H47ClF6N12O6S2 — CID 158805699

About 5-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-1,3-thiazole-4-carboxamide;2-methoxy-4-morpholin-4-ylaniline;5-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-1,3-thiazole-4-carboxamide

5-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-1,3-thiazole-4-carboxamide;2-methoxy-4-morpholin-4-ylaniline;5-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 158805699) has the molecular formula C44H47ClF6N12O6S2 and a molecular weight of 1053.51 g/mol. Its IUPAC name is 5-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-1,3-thiazole-4-carboxamide;2-methoxy-4-morpholin-4-ylaniline;5-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-1,3-thiazole-4-carboxamide;2-methoxy-4-morpholin-4-ylaniline;5-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-1,3-thiazole-4-carboxamide
• PubChem CID: 158805699
• Molecular Formula: C44H47ClF6N12O6S2
• Molecular Weight: 1053.51 g/mol
• Exact Mass: 1052.28
• IUPAC Name: 5-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-1,3-thiazole-4-carboxamide;2-methoxy-4-morpholin-4-ylaniline;5-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-1,3-thiazole-4-carboxamide
• SMILES: CNC(=O)c1ncsc1Nc1cc(Cl)ncc1C(F)(F)F.CNC(=O)c1ncsc1Nc1cc(Nc2ccc(N3CCOCC3)cc2OC)ncc1C(F)(F)F.COc1cc(N2CCOCC2)ccc1N
• InChI: InChI=1S/C22H23F3N6O3S.C11H8ClF3N4OS.C11H16N2O2/c1-26-20(32)19-21(35-12-28-19)30-16-10-18(27-11-14(16)22(23,24)25)29-15-4-3-13(9-17(15)33-2)31-5-7-34-8-6-31;1-16-9(20)8-10(21-4-18-8)19-6-2-7(12)17-3-5(6)11(13,14)15;1-14-11-8-9(2-3-10(11)12)13-4-6-15-7-5-13/h3-4,9-12H,5-8H2,1-2H3,(H,26,32)(H2,27,29,30);2-4H,1H3,(H,16,20)(H,17,19);2-3,8H,4-7,12H2,1H3
• InChIKey: IUAYDWKFKSWXRT-UHFFFAOYSA-N
• XLogP: 8.68
• TPSA: 215.27 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1053.51
LogP ≤ 5	8.68
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-1,3-thiazole-4-carboxamide;2-methoxy-4-morpholin-4-ylaniline;5-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-1,3-thiazole-4-carboxamide?

The IUPAC name of 5-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-1,3-thiazole-4-carboxamide;2-methoxy-4-morpholin-4-ylaniline;5-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-1,3-thiazole-4-carboxamide (CID 158805699) is 5-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-1,3-thiazole-4-carboxamide;2-methoxy-4-morpholin-4-ylaniline;5-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 5-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-1,3-thiazole-4-carboxamide;2-methoxy-4-morpholin-4-ylaniline;5-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-1,3-thiazole-4-carboxamide?

The canonical SMILES for 5-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-1,3-thiazole-4-carboxamide;2-methoxy-4-morpholin-4-ylaniline;5-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-1,3-thiazole-4-carboxamide is CNC(=O)c1ncsc1Nc1cc(Cl)ncc1C(F)(F)F.CNC(=O)c1ncsc1Nc1cc(Nc2ccc(N3CCOCC3)cc2OC)ncc1C(F)(F)F.COc1cc(N2CCOCC2)ccc1N.

What is the InChIKey of 5-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-1,3-thiazole-4-carboxamide;2-methoxy-4-morpholin-4-ylaniline;5-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-1,3-thiazole-4-carboxamide?

The InChIKey is IUAYDWKFKSWXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N6O3S.C11H8ClF3N4OS.C11H16N2O2/c1-26-20(32)19-21(35-12-28-19)30-16-10-18(27-11-14(16)22(23,24)25)29-15-4-3-13(9-17(15)33-2)31-5-7-34-8-6-31;1-16-9(20)8-10(21-4-18-8)19-6-2-7(12)17-3-5(6)11(13,14)15;1-14-11-8-9(2-3-10(11)12)13-4-6-15-7-5-13/h3-4,9-12H,5-8H2,1-2H3,(H,26,32)(H2,27,29,30);2-4H,1H3,(H,16,20)(H,17,19);2-3,8H,4-7,12H2,1H3.

What are the key properties of 5-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-1,3-thiazole-4-carboxamide;2-methoxy-4-morpholin-4-ylaniline;5-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-1,3-thiazole-4-carboxamide?

5-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-1,3-thiazole-4-carboxamide;2-methoxy-4-morpholin-4-ylaniline;5-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 1053.51 g/mol, XLogP of 8.68, 12 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-1,3-thiazole-4-carboxamide;2-methoxy-4-morpholin-4-ylaniline;5-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 158805699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).