4-[(2,6-difluoro-4-methylsulfonylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole;2-fluoro-4-methylsulfonyl-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]aniline;2-[(3R,4R)-3-methylpiperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole;6-methyl-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]pyridin-3-amine;2-piperidin-4-yl-4-[[6-(tetrazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[4-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methoxy]phenyl]morpholine

C98H120F3N25O9S8 — CID 161080123

About 4-[(2,6-difluoro-4-methylsulfonylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole;2-fluoro-4-methylsulfonyl-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]aniline;2-[(3R,4R)-3-methylpiperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole;6-methyl-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]pyridin-3-amine;2-piperidin-4-yl-4-[[6-(tetrazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[4-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methoxy]phenyl]morpholine

4-[(2,6-difluoro-4-methylsulfonylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole;2-fluoro-4-methylsulfonyl-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]aniline;2-[(3R,4R)-3-methylpiperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole;6-methyl-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]pyridin-3-amine;2-piperidin-4-yl-4-[[6-(tetrazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[4-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methoxy]phenyl]morpholine (PubChem CID 161080123) has the molecular formula C98H120F3N25O9S8 and a molecular weight of 2105.73 g/mol. Its IUPAC name is 4-[(2,6-difluoro-4-methylsulfonylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole;2-fluoro-4-methylsulfonyl-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]aniline;2-[(3R,4R)-3-methylpiperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole;6-methyl-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]pyridin-3-amine;2-piperidin-4-yl-4-[[6-(tetrazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[4-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methoxy]phenyl]morpholine.

Molecular Properties

• Compound Name: 4-[(2,6-difluoro-4-methylsulfonylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole;2-fluoro-4-methylsulfonyl-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]aniline;2-[(3R,4R)-3-methylpiperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole;6-methyl-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]pyridin-3-amine;2-piperidin-4-yl-4-[[6-(tetrazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[4-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methoxy]phenyl]morpholine
• PubChem CID: 161080123
• Molecular Formula: C98H120F3N25O9S8
• Molecular Weight: 2105.73 g/mol
• Exact Mass: 2103.74
• IUPAC Name: 4-[(2,6-difluoro-4-methylsulfonylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole;2-fluoro-4-methylsulfonyl-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]aniline;2-[(3R,4R)-3-methylpiperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole;6-methyl-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]pyridin-3-amine;2-piperidin-4-yl-4-[[6-(tetrazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[4-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methoxy]phenyl]morpholine
• SMILES: CS(=O)(=O)c1cc(F)c(OCc2csc(C3CCNCC3)n2)c(F)c1.CS(=O)(=O)c1ccc(NCc2csc(C3CCNCC3)n2)c(F)c1.C[C@H]1CNCC[C@H]1c1nc(COc2ccc(-n3cnnn3)cc2)cs1.Cc1ccc(NCc2csc(C3CCNCC3)n2)cn1.c1cc(-n2cnnn2)ncc1OCc1csc(C2CCNCC2)n1.c1cc(N2CCOCC2)ccc1OCc1csc(C2CCNCC2)n1
• InChI: InChI=1S/C19H25N3O2S.C17H20N6OS.C16H18F2N2O3S2.C16H20FN3O2S2.C15H17N7OS.C15H20N4S/c1-3-18(4-2-17(1)22-9-11-23-12-10-22)24-13-16-14-25-19(21-16)15-5-7-20-8-6-15;1-12-8-18-7-6-16(12)17-20-13(10-25-17)9-24-15-4-2-14(3-5-15)23-11-19-21-22-23;1-25(21,22)12-6-13(17)15(14(18)7-12)23-8-11-9-24-16(20-11)10-2-4-19-5-3-10;1-24(21,22)13-2-3-15(14(17)8-13)19-9-12-10-23-16(20-12)11-4-6-18-7-5-11;1-2-14(22-10-18-20-21-22)17-7-13(1)23-8-12-9-24-15(19-12)11-3-5-16-6-4-11;1-11-2-3-13(8-17-11)18-9-14-10-20-15(19-14)12-4-6-16-7-5-12/h1-4,14-15,20H,5-13H2;2-5,10-12,16,18H,6-9H2,1H3;6-7,9-10,19H,2-5,8H2,1H3;2-3,8,10-11,18-19H,4-7,9H2,1H3;1-2,7,9-11,16H,3-6,8H2;2-3,8,10,12,16,18H,4-7,9H2,1H3/t;12-,16+;;;;/m.0..../s1
• InChIKey: UFUNNBDBAMVUJT-LTKXBJHTSA-N
• XLogP: 15.56
• TPSA: 404.23 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 40
• Rotatable Bonds: 29
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2105.73
LogP ≤ 5	15.56
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluoro-4-methylsulfonylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole;2-fluoro-4-methylsulfonyl-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]aniline;2-[(3R,4R)-3-methylpiperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole;6-methyl-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]pyridin-3-amine;2-piperidin-4-yl-4-[[6-(tetrazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[4-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methoxy]phenyl]morpholine?

The IUPAC name of 4-[(2,6-difluoro-4-methylsulfonylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole;2-fluoro-4-methylsulfonyl-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]aniline;2-[(3R,4R)-3-methylpiperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole;6-methyl-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]pyridin-3-amine;2-piperidin-4-yl-4-[[6-(tetrazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[4-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methoxy]phenyl]morpholine (CID 161080123) is 4-[(2,6-difluoro-4-methylsulfonylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole;2-fluoro-4-methylsulfonyl-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]aniline;2-[(3R,4R)-3-methylpiperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole;6-methyl-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]pyridin-3-amine;2-piperidin-4-yl-4-[[6-(tetrazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[4-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methoxy]phenyl]morpholine.

What is the SMILES notation for 4-[(2,6-difluoro-4-methylsulfonylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole;2-fluoro-4-methylsulfonyl-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]aniline;2-[(3R,4R)-3-methylpiperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole;6-methyl-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]pyridin-3-amine;2-piperidin-4-yl-4-[[6-(tetrazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[4-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methoxy]phenyl]morpholine?

The canonical SMILES for 4-[(2,6-difluoro-4-methylsulfonylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole;2-fluoro-4-methylsulfonyl-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]aniline;2-[(3R,4R)-3-methylpiperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole;6-methyl-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]pyridin-3-amine;2-piperidin-4-yl-4-[[6-(tetrazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[4-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methoxy]phenyl]morpholine is CS(=O)(=O)c1cc(F)c(OCc2csc(C3CCNCC3)n2)c(F)c1.CS(=O)(=O)c1ccc(NCc2csc(C3CCNCC3)n2)c(F)c1.C[C@H]1CNCC[C@H]1c1nc(COc2ccc(-n3cnnn3)cc2)cs1.Cc1ccc(NCc2csc(C3CCNCC3)n2)cn1.c1cc(-n2cnnn2)ncc1OCc1csc(C2CCNCC2)n1.c1cc(N2CCOCC2)ccc1OCc1csc(C2CCNCC2)n1.

What is the InChIKey of 4-[(2,6-difluoro-4-methylsulfonylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole;2-fluoro-4-methylsulfonyl-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]aniline;2-[(3R,4R)-3-methylpiperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole;6-methyl-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]pyridin-3-amine;2-piperidin-4-yl-4-[[6-(tetrazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[4-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methoxy]phenyl]morpholine?

The InChIKey is UFUNNBDBAMVUJT-LTKXBJHTSA-N. The full InChI is InChI=1S/C19H25N3O2S.C17H20N6OS.C16H18F2N2O3S2.C16H20FN3O2S2.C15H17N7OS.C15H20N4S/c1-3-18(4-2-17(1)22-9-11-23-12-10-22)24-13-16-14-25-19(21-16)15-5-7-20-8-6-15;1-12-8-18-7-6-16(12)17-20-13(10-25-17)9-24-15-4-2-14(3-5-15)23-11-19-21-22-23;1-25(21,22)12-6-13(17)15(14(18)7-12)23-8-11-9-24-16(20-11)10-2-4-19-5-3-10;1-24(21,22)13-2-3-15(14(17)8-13)19-9-12-10-23-16(20-12)11-4-6-18-7-5-11;1-2-14(22-10-18-20-21-22)17-7-13(1)23-8-12-9-24-15(19-12)11-3-5-16-6-4-11;1-11-2-3-13(8-17-11)18-9-14-10-20-15(19-14)12-4-6-16-7-5-12/h1-4,14-15,20H,5-13H2;2-5,10-12,16,18H,6-9H2,1H3;6-7,9-10,19H,2-5,8H2,1H3;2-3,8,10-11,18-19H,4-7,9H2,1H3;1-2,7,9-11,16H,3-6,8H2;2-3,8,10,12,16,18H,4-7,9H2,1H3/t;12-,16+;;;;/m.0..../s1.

What are the key properties of 4-[(2,6-difluoro-4-methylsulfonylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole;2-fluoro-4-methylsulfonyl-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]aniline;2-[(3R,4R)-3-methylpiperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole;6-methyl-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]pyridin-3-amine;2-piperidin-4-yl-4-[[6-(tetrazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[4-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methoxy]phenyl]morpholine?

4-[(2,6-difluoro-4-methylsulfonylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole;2-fluoro-4-methylsulfonyl-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]aniline;2-[(3R,4R)-3-methylpiperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole;6-methyl-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]pyridin-3-amine;2-piperidin-4-yl-4-[[6-(tetrazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[4-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methoxy]phenyl]morpholine has a molecular weight of 2105.73 g/mol, XLogP of 15.56, 29 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2,6-difluoro-4-methylsulfonylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole;2-fluoro-4-methylsulfonyl-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]aniline;2-[(3R,4R)-3-methylpiperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole;6-methyl-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]pyridin-3-amine;2-piperidin-4-yl-4-[[6-(tetrazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[4-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methoxy]phenyl]morpholine is sourced from PubChem (CID 161080123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).