2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(4-methyl-1,3-thiazol-5-yl)-2-morpholin-4-ylacetonitrile;2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenoxypiperidin-1-yl)acetonitrile;2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)acetonitrile;2-(4-phenoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)acetonitrile;2-piperidin-1-yl-2-(1,3-thiazol-5-yl)acetonitrile

C97H111F2N21O4S7 — CID 159844948

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

2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(4-methyl-1,3-thiazol-5-yl)-2-morpholin-4-ylacetonitrile;2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenoxypiperidin-1-yl)acetonitrile;2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)acetonitrile;2-(4-phenoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)acetonitrile;2-piperidin-1-yl-2-(1,3-thiazol-5-yl)acetonitrile (PubChem CID 159844948) has the molecular formula C97H111F2N21O4S7 and a molecular weight of 1897.56 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(4-methyl-1,3-thiazol-5-yl)-2-morpholin-4-ylacetonitrile;2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenoxypiperidin-1-yl)acetonitrile;2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)acetonitrile;2-(4-phenoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)acetonitrile;2-piperidin-1-yl-2-(1,3-thiazol-5-yl)acetonitrile.

Molecular Properties

• Compound Name: 2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(4-methyl-1,3-thiazol-5-yl)-2-morpholin-4-ylacetonitrile;2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenoxypiperidin-1-yl)acetonitrile;2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)acetonitrile;2-(4-phenoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)acetonitrile;2-piperidin-1-yl-2-(1,3-thiazol-5-yl)acetonitrile
• PubChem CID: 159844948
• Molecular Formula: C97H111F2N21O4S7
• Molecular Weight: 1897.56 g/mol
• Exact Mass: 1895.71
• IUPAC Name: 2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(4-methyl-1,3-thiazol-5-yl)-2-morpholin-4-ylacetonitrile;2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenoxypiperidin-1-yl)acetonitrile;2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)acetonitrile;2-(4-phenoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)acetonitrile;2-piperidin-1-yl-2-(1,3-thiazol-5-yl)acetonitrile
• SMILES: Cc1ncsc1C(C#N)N1CCC(F)(F)CC1.Cc1ncsc1C(C#N)N1CCC(OCc2ccccc2)CC1.Cc1ncsc1C(C#N)N1CCC(Oc2ccccc2)CC1.Cc1ncsc1C(C#N)N1CCOCC1.Cc1ncsc1C(C#N)N1CCc2ccccc2C1.N#CC(c1cncs1)N1CCC(Oc2ccccc2)CC1.N#CC(c1cncs1)N1CCCCC1
• InChI: InChI=1S/C18H21N3OS.C17H19N3OS.C16H17N3OS.C15H15N3S.C11H13F2N3S.C10H13N3OS.C10H13N3S/c1-14-18(23-13-20-14)17(11-19)21-9-7-16(8-10-21)22-12-15-5-3-2-4-6-15;1-13-17(22-12-19-13)16(11-18)20-9-7-15(8-10-20)21-14-5-3-2-4-6-14;17-10-15(16-11-18-12-21-16)19-8-6-14(7-9-19)20-13-4-2-1-3-5-13;1-11-15(19-10-17-11)14(8-16)18-7-6-12-4-2-3-5-13(12)9-18;1-8-10(17-7-15-8)9(6-14)16-4-2-11(12,13)3-5-16;1-8-10(15-7-12-8)9(6-11)13-2-4-14-5-3-13;11-6-9(10-7-12-8-14-10)13-4-2-1-3-5-13/h2-6,13,16-17H,7-10,12H2,1H3;2-6,12,15-16H,7-10H2,1H3;1-5,11-12,14-15H,6-9H2;2-5,10,14H,6-7,9H2,1H3;7,9H,2-5H2,1H3;7,9H,2-5H2,1H3;7-9H,1-5H2
• InChIKey: NPEFTVPWVUWIDH-UHFFFAOYSA-N
• XLogP: 19.87
• TPSA: 316.36 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 21
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1897.56
LogP ≤ 5	19.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

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

The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(4-methyl-1,3-thiazol-5-yl)-2-morpholin-4-ylacetonitrile;2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenoxypiperidin-1-yl)acetonitrile;2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)acetonitrile;2-(4-phenoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)acetonitrile;2-piperidin-1-yl-2-(1,3-thiazol-5-yl)acetonitrile (CID 159844948) is 2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(4-methyl-1,3-thiazol-5-yl)-2-morpholin-4-ylacetonitrile;2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenoxypiperidin-1-yl)acetonitrile;2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)acetonitrile;2-(4-phenoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)acetonitrile;2-piperidin-1-yl-2-(1,3-thiazol-5-yl)acetonitrile.

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

The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(4-methyl-1,3-thiazol-5-yl)-2-morpholin-4-ylacetonitrile;2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenoxypiperidin-1-yl)acetonitrile;2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)acetonitrile;2-(4-phenoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)acetonitrile;2-piperidin-1-yl-2-(1,3-thiazol-5-yl)acetonitrile is Cc1ncsc1C(C#N)N1CCC(F)(F)CC1.Cc1ncsc1C(C#N)N1CCC(OCc2ccccc2)CC1.Cc1ncsc1C(C#N)N1CCC(Oc2ccccc2)CC1.Cc1ncsc1C(C#N)N1CCOCC1.Cc1ncsc1C(C#N)N1CCc2ccccc2C1.N#CC(c1cncs1)N1CCC(Oc2ccccc2)CC1.N#CC(c1cncs1)N1CCCCC1.

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

The InChIKey is NPEFTVPWVUWIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS.C17H19N3OS.C16H17N3OS.C15H15N3S.C11H13F2N3S.C10H13N3OS.C10H13N3S/c1-14-18(23-13-20-14)17(11-19)21-9-7-16(8-10-21)22-12-15-5-3-2-4-6-15;1-13-17(22-12-19-13)16(11-18)20-9-7-15(8-10-20)21-14-5-3-2-4-6-14;17-10-15(16-11-18-12-21-16)19-8-6-14(7-9-19)20-13-4-2-1-3-5-13;1-11-15(19-10-17-11)14(8-16)18-7-6-12-4-2-3-5-13(12)9-18;1-8-10(17-7-15-8)9(6-14)16-4-2-11(12,13)3-5-16;1-8-10(15-7-12-8)9(6-11)13-2-4-14-5-3-13;11-6-9(10-7-12-8-14-10)13-4-2-1-3-5-13/h2-6,13,16-17H,7-10,12H2,1H3;2-6,12,15-16H,7-10H2,1H3;1-5,11-12,14-15H,6-9H2;2-5,10,14H,6-7,9H2,1H3;7,9H,2-5H2,1H3;7,9H,2-5H2,1H3;7-9H,1-5H2.

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

2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(4-methyl-1,3-thiazol-5-yl)-2-morpholin-4-ylacetonitrile;2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenoxypiperidin-1-yl)acetonitrile;2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)acetonitrile;2-(4-phenoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)acetonitrile;2-piperidin-1-yl-2-(1,3-thiazol-5-yl)acetonitrile has a molecular weight of 1897.56 g/mol, XLogP of 19.87, 21 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile;2-(4-methyl-1,3-thiazol-5-yl)-2-morpholin-4-ylacetonitrile;2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenoxypiperidin-1-yl)acetonitrile;2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)acetonitrile;2-(4-phenoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)acetonitrile;2-piperidin-1-yl-2-(1,3-thiazol-5-yl)acetonitrile is sourced from PubChem (CID 159844948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).