4-(3,4-difluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(3-methylphenyl)-2-piperidin-1-yl-1,3-thiazole;bis(4-phenyl-2-piperidin-1-yl-1,3-thiazole);2-(2-piperidin-1-yl-1,3-thiazol-4-yl)aniline

C116H134F3N17OS8 — CID 157279621

About 4-(3,4-difluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(3-methylphenyl)-2-piperidin-1-yl-1,3-thiazole;bis(4-phenyl-2-piperidin-1-yl-1,3-thiazole);2-(2-piperidin-1-yl-1,3-thiazol-4-yl)aniline

4-(3,4-difluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(3-methylphenyl)-2-piperidin-1-yl-1,3-thiazole;bis(4-phenyl-2-piperidin-1-yl-1,3-thiazole);2-(2-piperidin-1-yl-1,3-thiazol-4-yl)aniline (PubChem CID 157279621) has the molecular formula C116H134F3N17OS8 and a molecular weight of 2096.00 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(3-methylphenyl)-2-piperidin-1-yl-1,3-thiazole;bis(4-phenyl-2-piperidin-1-yl-1,3-thiazole);2-(2-piperidin-1-yl-1,3-thiazol-4-yl)aniline.

Molecular Properties

• Compound Name: 4-(3,4-difluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(3-methylphenyl)-2-piperidin-1-yl-1,3-thiazole;bis(4-phenyl-2-piperidin-1-yl-1,3-thiazole);2-(2-piperidin-1-yl-1,3-thiazol-4-yl)aniline
• PubChem CID: 157279621
• Molecular Formula: C116H134F3N17OS8
• Molecular Weight: 2096.00 g/mol
• Exact Mass: 2093.87
• IUPAC Name: 4-(3,4-difluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(3-methylphenyl)-2-piperidin-1-yl-1,3-thiazole;bis(4-phenyl-2-piperidin-1-yl-1,3-thiazole);2-(2-piperidin-1-yl-1,3-thiazol-4-yl)aniline
• SMILES: COc1ccccc1-c1csc(N2CCCCC2)n1.Cc1ccc(C)c(-c2csc(N3CCCCC3)n2)c1.Cc1cccc(-c2csc(N3CCCCC3)n2)c1.Fc1ccc(-c2csc(N3CCCCC3)n2)cc1.Fc1ccc(-c2csc(N3CCCCC3)n2)cc1F.Nc1ccccc1-c1csc(N2CCCCC2)n1.c1ccc(-c2csc(N3CCCCC3)n2)cc1.c1ccc(-c2csc(N3CCCCC3)n2)cc1
• InChI: InChI=1S/C16H20N2S.C15H18N2OS.C15H18N2S.C14H14F2N2S.C14H15FN2S.C14H17N3S.2C14H16N2S/c1-12-6-7-13(2)14(10-12)15-11-19-16(17-15)18-8-4-3-5-9-18;1-18-14-8-4-3-7-12(14)13-11-19-15(16-13)17-9-5-2-6-10-17;1-12-6-5-7-13(10-12)14-11-18-15(16-14)17-8-3-2-4-9-17;15-11-5-4-10(8-12(11)16)13-9-19-14(17-13)18-6-2-1-3-7-18;15-12-6-4-11(5-7-12)13-10-18-14(16-13)17-8-2-1-3-9-17;15-12-7-3-2-6-11(12)13-10-18-14(16-13)17-8-4-1-5-9-17;2*1-3-7-12(8-4-1)13-11-17-14(15-13)16-9-5-2-6-10-16/h6-7,10-11H,3-5,8-9H2,1-2H3;3-4,7-8,11H,2,5-6,9-10H2,1H3;5-7,10-11H,2-4,8-9H2,1H3;4-5,8-9H,1-3,6-7H2;4-7,10H,1-3,8-9H2;2-3,6-7,10H,1,4-5,8-9,15H2;2*1,3-4,7-8,11H,2,5-6,9-10H2
• InChIKey: AZMWXMNOHWQHIW-UHFFFAOYSA-N
• XLogP: 31.34
• TPSA: 164.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 17
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2096.00
LogP ≤ 5	31.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(3-methylphenyl)-2-piperidin-1-yl-1,3-thiazole;bis(4-phenyl-2-piperidin-1-yl-1,3-thiazole);2-(2-piperidin-1-yl-1,3-thiazol-4-yl)aniline?

The IUPAC name of 4-(3,4-difluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(3-methylphenyl)-2-piperidin-1-yl-1,3-thiazole;bis(4-phenyl-2-piperidin-1-yl-1,3-thiazole);2-(2-piperidin-1-yl-1,3-thiazol-4-yl)aniline (CID 157279621) is 4-(3,4-difluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(3-methylphenyl)-2-piperidin-1-yl-1,3-thiazole;bis(4-phenyl-2-piperidin-1-yl-1,3-thiazole);2-(2-piperidin-1-yl-1,3-thiazol-4-yl)aniline.

What is the SMILES notation for 4-(3,4-difluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(3-methylphenyl)-2-piperidin-1-yl-1,3-thiazole;bis(4-phenyl-2-piperidin-1-yl-1,3-thiazole);2-(2-piperidin-1-yl-1,3-thiazol-4-yl)aniline?

The canonical SMILES for 4-(3,4-difluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(3-methylphenyl)-2-piperidin-1-yl-1,3-thiazole;bis(4-phenyl-2-piperidin-1-yl-1,3-thiazole);2-(2-piperidin-1-yl-1,3-thiazol-4-yl)aniline is COc1ccccc1-c1csc(N2CCCCC2)n1.Cc1ccc(C)c(-c2csc(N3CCCCC3)n2)c1.Cc1cccc(-c2csc(N3CCCCC3)n2)c1.Fc1ccc(-c2csc(N3CCCCC3)n2)cc1.Fc1ccc(-c2csc(N3CCCCC3)n2)cc1F.Nc1ccccc1-c1csc(N2CCCCC2)n1.c1ccc(-c2csc(N3CCCCC3)n2)cc1.c1ccc(-c2csc(N3CCCCC3)n2)cc1.

What is the InChIKey of 4-(3,4-difluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(3-methylphenyl)-2-piperidin-1-yl-1,3-thiazole;bis(4-phenyl-2-piperidin-1-yl-1,3-thiazole);2-(2-piperidin-1-yl-1,3-thiazol-4-yl)aniline?

The InChIKey is AZMWXMNOHWQHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S.C15H18N2OS.C15H18N2S.C14H14F2N2S.C14H15FN2S.C14H17N3S.2C14H16N2S/c1-12-6-7-13(2)14(10-12)15-11-19-16(17-15)18-8-4-3-5-9-18;1-18-14-8-4-3-7-12(14)13-11-19-15(16-13)17-9-5-2-6-10-17;1-12-6-5-7-13(10-12)14-11-18-15(16-14)17-8-3-2-4-9-17;15-11-5-4-10(8-12(11)16)13-9-19-14(17-13)18-6-2-1-3-7-18;15-12-6-4-11(5-7-12)13-10-18-14(16-13)17-8-2-1-3-9-17;15-12-7-3-2-6-11(12)13-10-18-14(16-13)17-8-4-1-5-9-17;2*1-3-7-12(8-4-1)13-11-17-14(15-13)16-9-5-2-6-10-16/h6-7,10-11H,3-5,8-9H2,1-2H3;3-4,7-8,11H,2,5-6,9-10H2,1H3;5-7,10-11H,2-4,8-9H2,1H3;4-5,8-9H,1-3,6-7H2;4-7,10H,1-3,8-9H2;2-3,6-7,10H,1,4-5,8-9,15H2;2*1,3-4,7-8,11H,2,5-6,9-10H2.

What are the key properties of 4-(3,4-difluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(3-methylphenyl)-2-piperidin-1-yl-1,3-thiazole;bis(4-phenyl-2-piperidin-1-yl-1,3-thiazole);2-(2-piperidin-1-yl-1,3-thiazol-4-yl)aniline?

4-(3,4-difluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(3-methylphenyl)-2-piperidin-1-yl-1,3-thiazole;bis(4-phenyl-2-piperidin-1-yl-1,3-thiazole);2-(2-piperidin-1-yl-1,3-thiazol-4-yl)aniline has a molecular weight of 2096.00 g/mol, XLogP of 31.34, 17 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,4-difluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(3-methylphenyl)-2-piperidin-1-yl-1,3-thiazole;bis(4-phenyl-2-piperidin-1-yl-1,3-thiazole);2-(2-piperidin-1-yl-1,3-thiazol-4-yl)aniline is sourced from PubChem (CID 157279621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).