2-(2-cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile;2-[2-(2,4-difluorophenyl)morpholin-4-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(2-ethyl-1,3-thiazol-5-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile;2-[2-(2-methylphenyl)morpholin-4-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(2-methyl-1,3-thiazol-5-yl)-2-(1,4-oxazepan-4-yl)acetonitrile

C80H92F8N18O3S6 — CID 157317143

About 2-(2-cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile;2-[2-(2,4-difluorophenyl)morpholin-4-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(2-ethyl-1,3-thiazol-5-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile;2-[2-(2-methylphenyl)morpholin-4-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(2-methyl-1,3-thiazol-5-yl)-2-(1,4-oxazepan-4-yl)acetonitrile

2-(2-cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile;2-[2-(2,4-difluorophenyl)morpholin-4-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(2-ethyl-1,3-thiazol-5-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile;2-[2-(2-methylphenyl)morpholin-4-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(2-methyl-1,3-thiazol-5-yl)-2-(1,4-oxazepan-4-yl)acetonitrile (PubChem CID 157317143) has the molecular formula C80H92F8N18O3S6 and a molecular weight of 1698.12 g/mol. Its IUPAC name is 2-(2-cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile;2-[2-(2,4-difluorophenyl)morpholin-4-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(2-ethyl-1,3-thiazol-5-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile;2-[2-(2-methylphenyl)morpholin-4-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(2-methyl-1,3-thiazol-5-yl)-2-(1,4-oxazepan-4-yl)acetonitrile.

Molecular Properties

• Compound Name: 2-(2-cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile;2-[2-(2,4-difluorophenyl)morpholin-4-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(2-ethyl-1,3-thiazol-5-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile;2-[2-(2-methylphenyl)morpholin-4-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(2-methyl-1,3-thiazol-5-yl)-2-(1,4-oxazepan-4-yl)acetonitrile
• PubChem CID: 157317143
• Molecular Formula: C80H92F8N18O3S6
• Molecular Weight: 1698.12 g/mol
• Exact Mass: 1696.58
• IUPAC Name: 2-(2-cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile;2-[2-(2,4-difluorophenyl)morpholin-4-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(2-ethyl-1,3-thiazol-5-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile;2-[2-(2-methylphenyl)morpholin-4-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(2-methyl-1,3-thiazol-5-yl)-2-(1,4-oxazepan-4-yl)acetonitrile
• SMILES: CCc1ncc(C(C#N)N2CCC(F)(F)CC2)s1.Cc1ccccc1C1CN(C(C#N)c2scnc2C)CCO1.Cc1ncc(C(C#N)N2CCC(F)(F)CC2)s1.Cc1ncc(C(C#N)N2CCCOCC2)s1.Cc1ncsc1C(C#N)N1CCOC(c2ccc(F)cc2F)C1.N#CC(c1cnc(C2CC2)s1)N1CCC(F)(F)CC1
• InChI: InChI=1S/C17H19N3OS.C16H15F2N3OS.C13H15F2N3S.C12H15F2N3S.C11H13F2N3S.C11H15N3OS/c1-12-5-3-4-6-14(12)16-10-20(7-8-21-16)15(9-18)17-13(2)19-11-22-17;1-10-16(23-9-20-10)14(7-19)21-4-5-22-15(8-21)12-3-2-11(17)6-13(12)18;14-13(15)3-5-18(6-4-13)10(7-16)11-8-17-12(19-11)9-1-2-9;1-2-11-16-8-10(18-11)9(7-15)17-5-3-12(13,14)4-6-17;1-8-15-7-10(17-8)9(6-14)16-4-2-11(12,13)3-5-16;1-9-13-8-11(16-9)10(7-12)14-3-2-5-15-6-4-14/h3-6,11,15-16H,7-8,10H2,1-2H3;2-3,6,9,14-15H,4-5,8H2,1H3;8-10H,1-6H2;8-9H,2-6H2,1H3;7,9H,2-5H2,1H3;8,10H,2-6H2,1H3
• InChIKey: BDSSCGINERVJMP-UHFFFAOYSA-N
• XLogP: 17.57
• TPSA: 267.21 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 16
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1698.12
LogP ≤ 5	17.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile;2-[2-(2,4-difluorophenyl)morpholin-4-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(2-ethyl-1,3-thiazol-5-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile;2-[2-(2-methylphenyl)morpholin-4-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(2-methyl-1,3-thiazol-5-yl)-2-(1,4-oxazepan-4-yl)acetonitrile?

The IUPAC name of 2-(2-cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile;2-[2-(2,4-difluorophenyl)morpholin-4-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(2-ethyl-1,3-thiazol-5-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile;2-[2-(2-methylphenyl)morpholin-4-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(2-methyl-1,3-thiazol-5-yl)-2-(1,4-oxazepan-4-yl)acetonitrile (CID 157317143) is 2-(2-cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile;2-[2-(2,4-difluorophenyl)morpholin-4-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(2-ethyl-1,3-thiazol-5-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile;2-[2-(2-methylphenyl)morpholin-4-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(2-methyl-1,3-thiazol-5-yl)-2-(1,4-oxazepan-4-yl)acetonitrile.

What is the SMILES notation for 2-(2-cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile;2-[2-(2,4-difluorophenyl)morpholin-4-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(2-ethyl-1,3-thiazol-5-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile;2-[2-(2-methylphenyl)morpholin-4-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(2-methyl-1,3-thiazol-5-yl)-2-(1,4-oxazepan-4-yl)acetonitrile?

The canonical SMILES for 2-(2-cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile;2-[2-(2,4-difluorophenyl)morpholin-4-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(2-ethyl-1,3-thiazol-5-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile;2-[2-(2-methylphenyl)morpholin-4-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(2-methyl-1,3-thiazol-5-yl)-2-(1,4-oxazepan-4-yl)acetonitrile is CCc1ncc(C(C#N)N2CCC(F)(F)CC2)s1.Cc1ccccc1C1CN(C(C#N)c2scnc2C)CCO1.Cc1ncc(C(C#N)N2CCC(F)(F)CC2)s1.Cc1ncc(C(C#N)N2CCCOCC2)s1.Cc1ncsc1C(C#N)N1CCOC(c2ccc(F)cc2F)C1.N#CC(c1cnc(C2CC2)s1)N1CCC(F)(F)CC1.

What is the InChIKey of 2-(2-cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile;2-[2-(2,4-difluorophenyl)morpholin-4-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(2-ethyl-1,3-thiazol-5-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile;2-[2-(2-methylphenyl)morpholin-4-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(2-methyl-1,3-thiazol-5-yl)-2-(1,4-oxazepan-4-yl)acetonitrile?

The InChIKey is BDSSCGINERVJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS.C16H15F2N3OS.C13H15F2N3S.C12H15F2N3S.C11H13F2N3S.C11H15N3OS/c1-12-5-3-4-6-14(12)16-10-20(7-8-21-16)15(9-18)17-13(2)19-11-22-17;1-10-16(23-9-20-10)14(7-19)21-4-5-22-15(8-21)12-3-2-11(17)6-13(12)18;14-13(15)3-5-18(6-4-13)10(7-16)11-8-17-12(19-11)9-1-2-9;1-2-11-16-8-10(18-11)9(7-15)17-5-3-12(13,14)4-6-17;1-8-15-7-10(17-8)9(6-14)16-4-2-11(12,13)3-5-16;1-9-13-8-11(16-9)10(7-12)14-3-2-5-15-6-4-14/h3-6,11,15-16H,7-8,10H2,1-2H3;2-3,6,9,14-15H,4-5,8H2,1H3;8-10H,1-6H2;8-9H,2-6H2,1H3;7,9H,2-5H2,1H3;8,10H,2-6H2,1H3.

What are the key properties of 2-(2-cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile;2-[2-(2,4-difluorophenyl)morpholin-4-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(2-ethyl-1,3-thiazol-5-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile;2-[2-(2-methylphenyl)morpholin-4-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(2-methyl-1,3-thiazol-5-yl)-2-(1,4-oxazepan-4-yl)acetonitrile?

2-(2-cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile;2-[2-(2,4-difluorophenyl)morpholin-4-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(2-ethyl-1,3-thiazol-5-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile;2-[2-(2-methylphenyl)morpholin-4-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(2-methyl-1,3-thiazol-5-yl)-2-(1,4-oxazepan-4-yl)acetonitrile has a molecular weight of 1698.12 g/mol, XLogP of 17.57, 16 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile;2-[2-(2,4-difluorophenyl)morpholin-4-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(2-ethyl-1,3-thiazol-5-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile;2-[2-(2-methylphenyl)morpholin-4-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(2-methyl-1,3-thiazol-5-yl)-2-(1,4-oxazepan-4-yl)acetonitrile is sourced from PubChem (CID 157317143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).