4-[3-(benzenesulfonyl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]morpholine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine

C97H100F3N19O10S9 — CID 159712114

About 4-[3-(benzenesulfonyl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]morpholine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine

4-[3-(benzenesulfonyl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]morpholine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 159712114) has the molecular formula C97H100F3N19O10S9 and a molecular weight of 2037.59 g/mol. Its IUPAC name is 4-[3-(benzenesulfonyl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]morpholine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 4-[3-(benzenesulfonyl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]morpholine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine
• PubChem CID: 159712114
• Molecular Formula: C97H100F3N19O10S9
• Molecular Weight: 2037.59 g/mol
• Exact Mass: 2035.53
• IUPAC Name: 4-[3-(benzenesulfonyl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]morpholine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine
• SMILES: Cc1nc(N)sc1-c1cc(S(=O)(=O)c2ccccc2)cc(N2CCCCC2)n1.Cc1nnc(-c2cc(N3CCOCC3)cc(S(=O)(=O)c3ccccc3)c2)s1.Nc1nc(C(F)(F)F)c(-c2cc(S(=O)(=O)c3ccccc3)cc(N3CCCCC3)n2)s1.Nc1ncc(-c2cc(Oc3ccccc3)cc(N3CCCCC3)n2)s1.Nc1ncc(-c2cc(S(=O)(=O)c3ccccc3)cc(N3CCCCC3)n2)s1
• InChI: InChI=1S/C20H19F3N4O2S2.C20H22N4O2S2.C19H20N4O2S2.C19H20N4OS.C19H19N3O3S2/c21-20(22,23)18-17(30-19(24)26-18)15-11-14(31(28,29)13-7-3-1-4-8-13)12-16(25-15)27-9-5-2-6-10-27;1-14-19(27-20(21)22-14)17-12-16(28(25,26)15-8-4-2-5-9-15)13-18(23-17)24-10-6-3-7-11-24;20-19-21-13-17(26-19)16-11-15(27(24,25)14-7-3-1-4-8-14)12-18(22-16)23-9-5-2-6-10-23;20-19-21-13-17(25-19)16-11-15(24-14-7-3-1-4-8-14)12-18(22-16)23-9-5-2-6-10-23;1-14-20-21-19(26-14)15-11-16(22-7-9-25-10-8-22)13-18(12-15)27(23,24)17-5-3-2-4-6-17/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H2,24,26);2,4-5,8-9,12-13H,3,6-7,10-11H2,1H3,(H2,21,22);1,3-4,7-8,11-13H,2,5-6,9-10H2,(H2,20,21);1,3-4,7-8,11-13H,2,5-6,9-10H2,(H2,20,21);2-6,11-13H,7-10H2,1H3
• InChIKey: MYYWIVWPBTVQSS-UHFFFAOYSA-N
• XLogP: 19.91
• TPSA: 404.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 34
• Rotatable Bonds: 20
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2037.59
LogP ≤ 5	19.91
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 4-[3-(benzenesulfonyl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]morpholine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine?

The IUPAC name of 4-[3-(benzenesulfonyl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]morpholine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine (CID 159712114) is 4-[3-(benzenesulfonyl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]morpholine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine.

What is the SMILES notation for 4-[3-(benzenesulfonyl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]morpholine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine?

The canonical SMILES for 4-[3-(benzenesulfonyl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]morpholine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine is Cc1nc(N)sc1-c1cc(S(=O)(=O)c2ccccc2)cc(N2CCCCC2)n1.Cc1nnc(-c2cc(N3CCOCC3)cc(S(=O)(=O)c3ccccc3)c2)s1.Nc1nc(C(F)(F)F)c(-c2cc(S(=O)(=O)c3ccccc3)cc(N3CCCCC3)n2)s1.Nc1ncc(-c2cc(Oc3ccccc3)cc(N3CCCCC3)n2)s1.Nc1ncc(-c2cc(S(=O)(=O)c3ccccc3)cc(N3CCCCC3)n2)s1.

What is the InChIKey of 4-[3-(benzenesulfonyl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]morpholine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine?

The InChIKey is MYYWIVWPBTVQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2S2.C20H22N4O2S2.C19H20N4O2S2.C19H20N4OS.C19H19N3O3S2/c21-20(22,23)18-17(30-19(24)26-18)15-11-14(31(28,29)13-7-3-1-4-8-13)12-16(25-15)27-9-5-2-6-10-27;1-14-19(27-20(21)22-14)17-12-16(28(25,26)15-8-4-2-5-9-15)13-18(23-17)24-10-6-3-7-11-24;20-19-21-13-17(26-19)16-11-15(27(24,25)14-7-3-1-4-8-14)12-18(22-16)23-9-5-2-6-10-23;20-19-21-13-17(25-19)16-11-15(24-14-7-3-1-4-8-14)12-18(22-16)23-9-5-2-6-10-23;1-14-20-21-19(26-14)15-11-16(22-7-9-25-10-8-22)13-18(12-15)27(23,24)17-5-3-2-4-6-17/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H2,24,26);2,4-5,8-9,12-13H,3,6-7,10-11H2,1H3,(H2,21,22);1,3-4,7-8,11-13H,2,5-6,9-10H2,(H2,20,21);1,3-4,7-8,11-13H,2,5-6,9-10H2,(H2,20,21);2-6,11-13H,7-10H2,1H3.

What are the key properties of 4-[3-(benzenesulfonyl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]morpholine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine?

4-[3-(benzenesulfonyl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]morpholine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 2037.59 g/mol, XLogP of 19.91, 20 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(benzenesulfonyl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]morpholine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 159712114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).