1-[2-[[(4-chlorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)methanamine;1-[2-[[(2-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone;1-[2-[[(4-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone;1-[2-[[(4-methylphenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone

C105H96ClF13N10O4S4 — CID 157481547

About 1-[2-[[(4-chlorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)methanamine;1-[2-[[(2-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone;1-[2-[[(4-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone;1-[2-[[(4-methylphenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone

1-[2-[[(4-chlorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)methanamine;1-[2-[[(2-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone;1-[2-[[(4-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone;1-[2-[[(4-methylphenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone (PubChem CID 157481547) has the molecular formula C105H96ClF13N10O4S4 and a molecular weight of 1972.68 g/mol. Its IUPAC name is 1-[2-[[(4-chlorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)methanamine;1-[2-[[(2-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone;1-[2-[[(4-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone;1-[2-[[(4-methylphenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone.

Molecular Properties

• Compound Name: 1-[2-[[(4-chlorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)methanamine;1-[2-[[(2-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone;1-[2-[[(4-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone;1-[2-[[(4-methylphenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone
• PubChem CID: 157481547
• Molecular Formula: C105H96ClF13N10O4S4
• Molecular Weight: 1972.68 g/mol
• Exact Mass: 1970.60
• IUPAC Name: 1-[2-[[(4-chlorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)methanamine;1-[2-[[(2-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone;1-[2-[[(4-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone;1-[2-[[(4-methylphenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone
• SMILES: CC(=O)c1csc(CN(Cc2ccc(C)cc2)Cc2cccc(C(F)(F)F)c2)n1.CC(=O)c1csc(CN(Cc2ccc(F)cc2)Cc2ccc(Cl)cc2)n1.CC(=O)c1csc(CN(Cc2ccc(F)cc2)Cc2cccc(C(F)(F)F)c2)n1.CC(=O)c1csc(CN(Cc2cccc(C(F)(F)F)c2)Cc2ccccc2F)n1.Cc1ccc(CN(Cc2ccncc2)Cc2ccc(F)cc2)cc1
• InChI: InChI=1S/C22H21F3N2OS.2C21H18F4N2OS.C21H21FN2.C20H18ClFN2OS/c1-15-6-8-17(9-7-15)11-27(13-21-26-20(14-29-21)16(2)28)12-18-4-3-5-19(10-18)22(23,24)25;1-14(28)19-13-29-20(26-19)12-27(11-16-6-2-3-8-18(16)22)10-15-5-4-7-17(9-15)21(23,24)25;1-14(28)19-13-29-20(26-19)12-27(10-15-5-7-18(22)8-6-15)11-16-3-2-4-17(9-16)21(23,24)25;1-17-2-4-18(5-3-17)14-24(16-20-10-12-23-13-11-20)15-19-6-8-21(22)9-7-19;1-14(25)19-13-26-20(23-19)12-24(10-15-2-6-17(21)7-3-15)11-16-4-8-18(22)9-5-16/h3-10,14H,11-13H2,1-2H3;2*2-9,13H,10-12H2,1H3;2-13H,14-16H2,1H3;2-9,13H,10-12H2,1H3
• InChIKey: BWFIEVTWGKZCBM-UHFFFAOYSA-N
• XLogP: 27.36
• TPSA: 148.93 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 34
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1972.68
LogP ≤ 5	27.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(4-chlorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)methanamine;1-[2-[[(2-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone;1-[2-[[(4-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone;1-[2-[[(4-methylphenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone?

The IUPAC name of 1-[2-[[(4-chlorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)methanamine;1-[2-[[(2-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone;1-[2-[[(4-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone;1-[2-[[(4-methylphenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone (CID 157481547) is 1-[2-[[(4-chlorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)methanamine;1-[2-[[(2-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone;1-[2-[[(4-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone;1-[2-[[(4-methylphenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone.

What is the SMILES notation for 1-[2-[[(4-chlorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)methanamine;1-[2-[[(2-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone;1-[2-[[(4-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone;1-[2-[[(4-methylphenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone?

The canonical SMILES for 1-[2-[[(4-chlorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)methanamine;1-[2-[[(2-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone;1-[2-[[(4-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone;1-[2-[[(4-methylphenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(CN(Cc2ccc(C)cc2)Cc2cccc(C(F)(F)F)c2)n1.CC(=O)c1csc(CN(Cc2ccc(F)cc2)Cc2ccc(Cl)cc2)n1.CC(=O)c1csc(CN(Cc2ccc(F)cc2)Cc2cccc(C(F)(F)F)c2)n1.CC(=O)c1csc(CN(Cc2cccc(C(F)(F)F)c2)Cc2ccccc2F)n1.Cc1ccc(CN(Cc2ccncc2)Cc2ccc(F)cc2)cc1.

What is the InChIKey of 1-[2-[[(4-chlorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)methanamine;1-[2-[[(2-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone;1-[2-[[(4-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone;1-[2-[[(4-methylphenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone?

The InChIKey is BWFIEVTWGKZCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2OS.2C21H18F4N2OS.C21H21FN2.C20H18ClFN2OS/c1-15-6-8-17(9-7-15)11-27(13-21-26-20(14-29-21)16(2)28)12-18-4-3-5-19(10-18)22(23,24)25;1-14(28)19-13-29-20(26-19)12-27(11-16-6-2-3-8-18(16)22)10-15-5-4-7-17(9-15)21(23,24)25;1-14(28)19-13-29-20(26-19)12-27(10-15-5-7-18(22)8-6-15)11-16-3-2-4-17(9-16)21(23,24)25;1-17-2-4-18(5-3-17)14-24(16-20-10-12-23-13-11-20)15-19-6-8-21(22)9-7-19;1-14(25)19-13-26-20(23-19)12-24(10-15-2-6-17(21)7-3-15)11-16-4-8-18(22)9-5-16/h3-10,14H,11-13H2,1-2H3;2*2-9,13H,10-12H2,1H3;2-13H,14-16H2,1H3;2-9,13H,10-12H2,1H3.

What are the key properties of 1-[2-[[(4-chlorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)methanamine;1-[2-[[(2-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone;1-[2-[[(4-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone;1-[2-[[(4-methylphenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone?

1-[2-[[(4-chlorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)methanamine;1-[2-[[(2-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone;1-[2-[[(4-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone;1-[2-[[(4-methylphenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone has a molecular weight of 1972.68 g/mol, XLogP of 27.36, 34 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[(4-chlorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)methanamine;1-[2-[[(2-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone;1-[2-[[(4-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone;1-[2-[[(4-methylphenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 157481547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).