2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)acetonitrile;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-2-yl)acetonitrile;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-5-yl)acetonitrile;2-morpholin-4-yl-2-(1,3-thiazol-2-yl)acetonitrile;2-morpholin-4-yl-2-(1,3-thiazol-5-yl)acetonitrile;2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)acetonitrile;2-(4-phenylmethoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)acetonitrile

C103H113F6N27O4S9 — CID 159016464

About 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)acetonitrile;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-2-yl)acetonitrile;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-5-yl)acetonitrile;2-morpholin-4-yl-2-(1,3-thiazol-2-yl)acetonitrile;2-morpholin-4-yl-2-(1,3-thiazol-5-yl)acetonitrile;2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)acetonitrile;2-(4-phenylmethoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)acetonitrile

2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)acetonitrile;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-2-yl)acetonitrile;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-5-yl)acetonitrile;2-morpholin-4-yl-2-(1,3-thiazol-2-yl)acetonitrile;2-morpholin-4-yl-2-(1,3-thiazol-5-yl)acetonitrile;2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)acetonitrile;2-(4-phenylmethoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)acetonitrile (PubChem CID 159016464) has the molecular formula C103H113F6N27O4S9 and a molecular weight of 2195.81 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)acetonitrile;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-2-yl)acetonitrile;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-5-yl)acetonitrile;2-morpholin-4-yl-2-(1,3-thiazol-2-yl)acetonitrile;2-morpholin-4-yl-2-(1,3-thiazol-5-yl)acetonitrile;2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)acetonitrile;2-(4-phenylmethoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)acetonitrile.

Molecular Properties

• Compound Name: 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)acetonitrile;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-2-yl)acetonitrile;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-5-yl)acetonitrile;2-morpholin-4-yl-2-(1,3-thiazol-2-yl)acetonitrile;2-morpholin-4-yl-2-(1,3-thiazol-5-yl)acetonitrile;2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)acetonitrile;2-(4-phenylmethoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)acetonitrile
• PubChem CID: 159016464
• Molecular Formula: C103H113F6N27O4S9
• Molecular Weight: 2195.81 g/mol
• Exact Mass: 2193.69
• IUPAC Name: 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)acetonitrile;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-2-yl)acetonitrile;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-5-yl)acetonitrile;2-morpholin-4-yl-2-(1,3-thiazol-2-yl)acetonitrile;2-morpholin-4-yl-2-(1,3-thiazol-5-yl)acetonitrile;2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)acetonitrile;2-(4-phenylmethoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)acetonitrile
• SMILES: N#CC(c1cncs1)N1CCC(F)(F)CC1.N#CC(c1cncs1)N1CCC(OCc2ccccc2)CC1.N#CC(c1cncs1)N1CCOCC1.N#CC(c1cncs1)N1CCc2ccccc2C1.N#CC(c1cscn1)N1CCC(F)(F)CC1.N#CC(c1cscn1)N1CCCOCC1.N#CC(c1nccs1)N1CCC(F)(F)CC1.N#CC(c1nccs1)N1CCOCC1.N#CC(c1nccs1)N1CCc2ccccc2C1
• InChI: InChI=1S/C17H19N3OS.2C14H13N3S.3C10H11F2N3S.C10H13N3OS.2C9H11N3OS/c18-10-16(17-11-19-13-22-17)20-8-6-15(7-9-20)21-12-14-4-2-1-3-5-14;15-9-13(14-16-6-8-18-14)17-7-5-11-3-1-2-4-12(11)10-17;15-7-13(14-8-16-10-18-14)17-6-5-11-3-1-2-4-12(11)9-17;11-10(12)1-4-15(5-2-10)8(7-13)9-14-3-6-16-9;11-10(12)1-3-15(4-2-10)9(5-13)8-6-16-7-14-8;11-10(12)1-3-15(4-2-10)8(5-13)9-6-14-7-16-9;11-6-10(9-7-15-8-12-9)13-2-1-4-14-5-3-13;10-7-8(9-11-1-6-14-9)12-2-4-13-5-3-12;10-5-8(9-6-11-7-14-9)12-1-3-13-4-2-12/h1-5,11,13,15-16H,6-9,12H2;1-4,6,8,13H,5,7,10H2;1-4,8,10,13H,5-6,9H2;3,6,8H,1-2,4-5H2;6-7,9H,1-4H2;6-8H,1-4H2;7-8,10H,1-5H2;1,6,8H,2-5H2;6-8H,1-4H2
• InChIKey: JTDPRMHHIGNPTH-UHFFFAOYSA-N
• XLogP: 19.75
• TPSA: 396.20 Ų
• H-Bond Acceptors: 40
• Rotatable Bonds: 21
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2195.81
LogP ≤ 5	19.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)acetonitrile;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-2-yl)acetonitrile;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-5-yl)acetonitrile;2-morpholin-4-yl-2-(1,3-thiazol-2-yl)acetonitrile;2-morpholin-4-yl-2-(1,3-thiazol-5-yl)acetonitrile;2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)acetonitrile;2-(4-phenylmethoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)acetonitrile?

The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)acetonitrile;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-2-yl)acetonitrile;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-5-yl)acetonitrile;2-morpholin-4-yl-2-(1,3-thiazol-2-yl)acetonitrile;2-morpholin-4-yl-2-(1,3-thiazol-5-yl)acetonitrile;2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)acetonitrile;2-(4-phenylmethoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)acetonitrile (CID 159016464) is 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)acetonitrile;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-2-yl)acetonitrile;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-5-yl)acetonitrile;2-morpholin-4-yl-2-(1,3-thiazol-2-yl)acetonitrile;2-morpholin-4-yl-2-(1,3-thiazol-5-yl)acetonitrile;2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)acetonitrile;2-(4-phenylmethoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)acetonitrile.

What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)acetonitrile;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-2-yl)acetonitrile;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-5-yl)acetonitrile;2-morpholin-4-yl-2-(1,3-thiazol-2-yl)acetonitrile;2-morpholin-4-yl-2-(1,3-thiazol-5-yl)acetonitrile;2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)acetonitrile;2-(4-phenylmethoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)acetonitrile?

The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)acetonitrile;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-2-yl)acetonitrile;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-5-yl)acetonitrile;2-morpholin-4-yl-2-(1,3-thiazol-2-yl)acetonitrile;2-morpholin-4-yl-2-(1,3-thiazol-5-yl)acetonitrile;2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)acetonitrile;2-(4-phenylmethoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)acetonitrile is N#CC(c1cncs1)N1CCC(F)(F)CC1.N#CC(c1cncs1)N1CCC(OCc2ccccc2)CC1.N#CC(c1cncs1)N1CCOCC1.N#CC(c1cncs1)N1CCc2ccccc2C1.N#CC(c1cscn1)N1CCC(F)(F)CC1.N#CC(c1cscn1)N1CCCOCC1.N#CC(c1nccs1)N1CCC(F)(F)CC1.N#CC(c1nccs1)N1CCOCC1.N#CC(c1nccs1)N1CCc2ccccc2C1.

What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)acetonitrile;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-2-yl)acetonitrile;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-5-yl)acetonitrile;2-morpholin-4-yl-2-(1,3-thiazol-2-yl)acetonitrile;2-morpholin-4-yl-2-(1,3-thiazol-5-yl)acetonitrile;2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)acetonitrile;2-(4-phenylmethoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)acetonitrile?

The InChIKey is JTDPRMHHIGNPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS.2C14H13N3S.3C10H11F2N3S.C10H13N3OS.2C9H11N3OS/c18-10-16(17-11-19-13-22-17)20-8-6-15(7-9-20)21-12-14-4-2-1-3-5-14;15-9-13(14-16-6-8-18-14)17-7-5-11-3-1-2-4-12(11)10-17;15-7-13(14-8-16-10-18-14)17-6-5-11-3-1-2-4-12(11)9-17;11-10(12)1-4-15(5-2-10)8(7-13)9-14-3-6-16-9;11-10(12)1-3-15(4-2-10)9(5-13)8-6-16-7-14-8;11-10(12)1-3-15(4-2-10)8(5-13)9-6-14-7-16-9;11-6-10(9-7-15-8-12-9)13-2-1-4-14-5-3-13;10-7-8(9-11-1-6-14-9)12-2-4-13-5-3-12;10-5-8(9-6-11-7-14-9)12-1-3-13-4-2-12/h1-5,11,13,15-16H,6-9,12H2;1-4,6,8,13H,5,7,10H2;1-4,8,10,13H,5-6,9H2;3,6,8H,1-2,4-5H2;6-7,9H,1-4H2;6-8H,1-4H2;7-8,10H,1-5H2;1,6,8H,2-5H2;6-8H,1-4H2.

What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)acetonitrile;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-2-yl)acetonitrile;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-5-yl)acetonitrile;2-morpholin-4-yl-2-(1,3-thiazol-2-yl)acetonitrile;2-morpholin-4-yl-2-(1,3-thiazol-5-yl)acetonitrile;2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)acetonitrile;2-(4-phenylmethoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)acetonitrile?

2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)acetonitrile;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-2-yl)acetonitrile;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-5-yl)acetonitrile;2-morpholin-4-yl-2-(1,3-thiazol-2-yl)acetonitrile;2-morpholin-4-yl-2-(1,3-thiazol-5-yl)acetonitrile;2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)acetonitrile;2-(4-phenylmethoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)acetonitrile has a molecular weight of 2195.81 g/mol, XLogP of 19.75, 21 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)acetonitrile;2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)acetonitrile;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-2-yl)acetonitrile;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-5-yl)acetonitrile;2-morpholin-4-yl-2-(1,3-thiazol-2-yl)acetonitrile;2-morpholin-4-yl-2-(1,3-thiazol-5-yl)acetonitrile;2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)acetonitrile;2-(4-phenylmethoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)acetonitrile is sourced from PubChem (CID 159016464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).