N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-5-methyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine

C51H40Cl2F10N6S2 — CID 91526377

About N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-5-methyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine

N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-5-methyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine (PubChem CID 91526377) has the molecular formula C51H40Cl2F10N6S2 and a molecular weight of 1061.94 g/mol. Its IUPAC name is N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-5-methyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-5-methyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine
• PubChem CID: 91526377
• Molecular Formula: C51H40Cl2F10N6S2
• Molecular Weight: 1061.94 g/mol
• Exact Mass: 1060.20
• IUPAC Name: N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-5-methyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine
• SMILES: Cc1nc(N[C@@](Cc2ccccc2)(c2cc(F)cc(C(F)(F)F)c2)c2ccc(Cl)cn2)sc1C.Cc1sc(NC(Cc2ccccc2)(c2cc(F)cc(C(F)(F)F)c2)c2ccc(Cl)cn2)nc1C(C)(F)F
• InChI: InChI=1S/C26H20ClF6N3S.C25H20ClF4N3S/c1-15-22(24(2,29)30)35-23(37-15)36-25(13-16-6-4-3-5-7-16,21-9-8-19(27)14-34-21)17-10-18(26(31,32)33)12-20(28)11-17;1-15-16(2)34-23(32-15)33-24(13-17-6-4-3-5-7-17,22-9-8-20(26)14-31-22)18-10-19(25(28,29)30)12-21(27)11-18/h3-12,14H,13H2,1-2H3,(H,35,36);3-12,14H,13H2,1-2H3,(H,32,33)/t;24-/m.0/s1
• InChIKey: KAYMPXVLSGAPAT-CVECHAOQSA-N
• XLogP: 15.93
• TPSA: 75.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1061.94
LogP ≤ 5	15.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-5-methyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine?

The IUPAC name of N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-5-methyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine (CID 91526377) is N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-5-methyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine.

What is the SMILES notation for N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-5-methyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine?

The canonical SMILES for N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-5-methyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine is Cc1nc(N[C@@](Cc2ccccc2)(c2cc(F)cc(C(F)(F)F)c2)c2ccc(Cl)cn2)sc1C.Cc1sc(NC(Cc2ccccc2)(c2cc(F)cc(C(F)(F)F)c2)c2ccc(Cl)cn2)nc1C(C)(F)F.

What is the InChIKey of N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-5-methyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine?

The InChIKey is KAYMPXVLSGAPAT-CVECHAOQSA-N. The full InChI is InChI=1S/C26H20ClF6N3S.C25H20ClF4N3S/c1-15-22(24(2,29)30)35-23(37-15)36-25(13-16-6-4-3-5-7-16,21-9-8-19(27)14-34-21)17-10-18(26(31,32)33)12-20(28)11-17;1-15-16(2)34-23(32-15)33-24(13-17-6-4-3-5-7-17,22-9-8-20(26)14-31-22)18-10-19(25(28,29)30)12-21(27)11-18/h3-12,14H,13H2,1-2H3,(H,35,36);3-12,14H,13H2,1-2H3,(H,32,33)/t;24-/m.0/s1.

What are the key properties of N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-5-methyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine?

N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-5-methyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine has a molecular weight of 1061.94 g/mol, XLogP of 15.93, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-5-methyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 91526377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).