N-[5-[(2-chlorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide;N-[4-(difluoromethyl)-5-[(2,6-difluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(2,6-difluorophenyl)methylsulfonyl]-4-(fluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(2,6-difluorophenyl)methylsulfonyl]-4-(hydroxymethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(2-fluoro-4-methylphenyl)methylsulfanyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[4-methyl-5-[(4-propan-2-ylphenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[4-methyl-5-[[2-(trifluoromethyl)phenyl]methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide

C121H96ClF13N22O20S14 — CID 158809413

About N-[5-[(2-chlorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide;N-[4-(difluoromethyl)-5-[(2,6-difluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(2,6-difluorophenyl)methylsulfonyl]-4-(fluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(2,6-difluorophenyl)methylsulfonyl]-4-(hydroxymethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(2-fluoro-4-methylphenyl)methylsulfanyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[4-methyl-5-[(4-propan-2-ylphenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[4-methyl-5-[[2-(trifluoromethyl)phenyl]methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide

N-[5-[(2-chlorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide;N-[4-(difluoromethyl)-5-[(2,6-difluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(2,6-difluorophenyl)methylsulfonyl]-4-(fluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(2,6-difluorophenyl)methylsulfonyl]-4-(hydroxymethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(2-fluoro-4-methylphenyl)methylsulfanyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[4-methyl-5-[(4-propan-2-ylphenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[4-methyl-5-[[2-(trifluoromethyl)phenyl]methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide (PubChem CID 158809413) has the molecular formula C121H96ClF13N22O20S14 and a molecular weight of 2909.60 g/mol. Its IUPAC name is N-[5-[(2-chlorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide;N-[4-(difluoromethyl)-5-[(2,6-difluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(2,6-difluorophenyl)methylsulfonyl]-4-(fluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(2,6-difluorophenyl)methylsulfonyl]-4-(hydroxymethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(2-fluoro-4-methylphenyl)methylsulfanyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[4-methyl-5-[(4-propan-2-ylphenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[4-methyl-5-[[2-(trifluoromethyl)phenyl]methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-[(2-chlorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide;N-[4-(difluoromethyl)-5-[(2,6-difluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(2,6-difluorophenyl)methylsulfonyl]-4-(fluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(2,6-difluorophenyl)methylsulfonyl]-4-(hydroxymethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(2-fluoro-4-methylphenyl)methylsulfanyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[4-methyl-5-[(4-propan-2-ylphenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[4-methyl-5-[[2-(trifluoromethyl)phenyl]methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
• PubChem CID: 158809413
• Molecular Formula: C121H96ClF13N22O20S14
• Molecular Weight: 2909.60 g/mol
• Exact Mass: 2906.27
• IUPAC Name: N-[5-[(2-chlorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide;N-[4-(difluoromethyl)-5-[(2,6-difluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(2,6-difluorophenyl)methylsulfonyl]-4-(fluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(2,6-difluorophenyl)methylsulfonyl]-4-(hydroxymethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(2-fluoro-4-methylphenyl)methylsulfanyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[4-methyl-5-[(4-propan-2-ylphenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[4-methyl-5-[[2-(trifluoromethyl)phenyl]methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
• SMILES: Cc1ccc(CSc2cnc(NC(=O)c3ccccn3)s2)c(F)c1.Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccc(C(C)C)cc1.Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccccc1C(F)(F)F.O=C(Nc1nc(C(F)F)c(S(=O)(=O)Cc2c(F)cccc2F)s1)c1ccccn1.O=C(Nc1nc(CF)c(S(=O)(=O)Cc2c(F)cccc2F)s1)c1ccccn1.O=C(Nc1nc(CO)c(S(=O)(=O)Cc2c(F)cccc2F)s1)c1ccccn1.O=C(Nc1nnc(S(=O)(=O)Cc2ccccc2Cl)s1)c1ccccn1
• InChI: InChI=1S/C20H21N3O3S2.C18H14F3N3O3S2.C17H11F4N3O3S2.C17H12F3N3O3S2.C17H13F2N3O4S2.C17H14FN3OS2.C15H11ClN4O3S2/c1-13(2)16-9-7-15(8-10-16)12-28(25,26)19-14(3)22-20(27-19)23-18(24)17-6-4-5-11-21-17;1-11-16(28-17(23-11)24-15(25)14-8-4-5-9-22-14)29(26,27)10-12-6-2-3-7-13(12)18(19,20)21;18-10-4-3-5-11(19)9(10)8-29(26,27)16-13(14(20)21)23-17(28-16)24-15(25)12-6-1-2-7-22-12;18-8-14-16(28(25,26)9-10-11(19)4-3-5-12(10)20)27-17(22-14)23-15(24)13-6-1-2-7-21-13;18-11-4-3-5-12(19)10(11)9-28(25,26)16-14(8-23)21-17(27-16)22-15(24)13-6-1-2-7-20-13;1-11-5-6-12(13(18)8-11)10-23-15-9-20-17(24-15)21-16(22)14-4-2-3-7-19-14;16-11-6-2-1-5-10(11)9-25(22,23)15-20-19-14(24-15)18-13(21)12-7-3-4-8-17-12/h4-11,13H,12H2,1-3H3,(H,22,23,24);2-9H,10H2,1H3,(H,23,24,25);1-7,14H,8H2,(H,23,24,25);1-7H,8-9H2,(H,22,23,24);1-7,23H,8-9H2,(H,21,22,24);2-9H,10H2,1H3,(H,20,21,22);1-8H,9H2,(H,18,19,21)
• InChIKey: IUMIOBRIGZCEIX-UHFFFAOYSA-N
• XLogP: 25.66
• TPSA: 622.12 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 43
• Rotatable Bonds: 39
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2909.60
LogP ≤ 5	25.66
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-chlorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide;N-[4-(difluoromethyl)-5-[(2,6-difluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(2,6-difluorophenyl)methylsulfonyl]-4-(fluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(2,6-difluorophenyl)methylsulfonyl]-4-(hydroxymethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(2-fluoro-4-methylphenyl)methylsulfanyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[4-methyl-5-[(4-propan-2-ylphenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[4-methyl-5-[[2-(trifluoromethyl)phenyl]methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?

The IUPAC name of N-[5-[(2-chlorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide;N-[4-(difluoromethyl)-5-[(2,6-difluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(2,6-difluorophenyl)methylsulfonyl]-4-(fluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(2,6-difluorophenyl)methylsulfonyl]-4-(hydroxymethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(2-fluoro-4-methylphenyl)methylsulfanyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[4-methyl-5-[(4-propan-2-ylphenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[4-methyl-5-[[2-(trifluoromethyl)phenyl]methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide (CID 158809413) is N-[5-[(2-chlorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide;N-[4-(difluoromethyl)-5-[(2,6-difluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(2,6-difluorophenyl)methylsulfonyl]-4-(fluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(2,6-difluorophenyl)methylsulfonyl]-4-(hydroxymethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(2-fluoro-4-methylphenyl)methylsulfanyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[4-methyl-5-[(4-propan-2-ylphenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[4-methyl-5-[[2-(trifluoromethyl)phenyl]methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide.

What is the SMILES notation for N-[5-[(2-chlorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide;N-[4-(difluoromethyl)-5-[(2,6-difluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(2,6-difluorophenyl)methylsulfonyl]-4-(fluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(2,6-difluorophenyl)methylsulfonyl]-4-(hydroxymethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(2-fluoro-4-methylphenyl)methylsulfanyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[4-methyl-5-[(4-propan-2-ylphenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[4-methyl-5-[[2-(trifluoromethyl)phenyl]methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?

The canonical SMILES for N-[5-[(2-chlorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide;N-[4-(difluoromethyl)-5-[(2,6-difluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(2,6-difluorophenyl)methylsulfonyl]-4-(fluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(2,6-difluorophenyl)methylsulfonyl]-4-(hydroxymethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(2-fluoro-4-methylphenyl)methylsulfanyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[4-methyl-5-[(4-propan-2-ylphenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[4-methyl-5-[[2-(trifluoromethyl)phenyl]methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide is Cc1ccc(CSc2cnc(NC(=O)c3ccccn3)s2)c(F)c1.Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccc(C(C)C)cc1.Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccccc1C(F)(F)F.O=C(Nc1nc(C(F)F)c(S(=O)(=O)Cc2c(F)cccc2F)s1)c1ccccn1.O=C(Nc1nc(CF)c(S(=O)(=O)Cc2c(F)cccc2F)s1)c1ccccn1.O=C(Nc1nc(CO)c(S(=O)(=O)Cc2c(F)cccc2F)s1)c1ccccn1.O=C(Nc1nnc(S(=O)(=O)Cc2ccccc2Cl)s1)c1ccccn1.

What is the InChIKey of N-[5-[(2-chlorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide;N-[4-(difluoromethyl)-5-[(2,6-difluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(2,6-difluorophenyl)methylsulfonyl]-4-(fluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(2,6-difluorophenyl)methylsulfonyl]-4-(hydroxymethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(2-fluoro-4-methylphenyl)methylsulfanyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[4-methyl-5-[(4-propan-2-ylphenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[4-methyl-5-[[2-(trifluoromethyl)phenyl]methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?

The InChIKey is IUMIOBRIGZCEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S2.C18H14F3N3O3S2.C17H11F4N3O3S2.C17H12F3N3O3S2.C17H13F2N3O4S2.C17H14FN3OS2.C15H11ClN4O3S2/c1-13(2)16-9-7-15(8-10-16)12-28(25,26)19-14(3)22-20(27-19)23-18(24)17-6-4-5-11-21-17;1-11-16(28-17(23-11)24-15(25)14-8-4-5-9-22-14)29(26,27)10-12-6-2-3-7-13(12)18(19,20)21;18-10-4-3-5-11(19)9(10)8-29(26,27)16-13(14(20)21)23-17(28-16)24-15(25)12-6-1-2-7-22-12;18-8-14-16(28(25,26)9-10-11(19)4-3-5-12(10)20)27-17(22-14)23-15(24)13-6-1-2-7-21-13;18-11-4-3-5-12(19)10(11)9-28(25,26)16-14(8-23)21-17(27-16)22-15(24)13-6-1-2-7-20-13;1-11-5-6-12(13(18)8-11)10-23-15-9-20-17(24-15)21-16(22)14-4-2-3-7-19-14;16-11-6-2-1-5-10(11)9-25(22,23)15-20-19-14(24-15)18-13(21)12-7-3-4-8-17-12/h4-11,13H,12H2,1-3H3,(H,22,23,24);2-9H,10H2,1H3,(H,23,24,25);1-7,14H,8H2,(H,23,24,25);1-7H,8-9H2,(H,22,23,24);1-7,23H,8-9H2,(H,21,22,24);2-9H,10H2,1H3,(H,20,21,22);1-8H,9H2,(H,18,19,21).

What are the key properties of N-[5-[(2-chlorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide;N-[4-(difluoromethyl)-5-[(2,6-difluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(2,6-difluorophenyl)methylsulfonyl]-4-(fluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(2,6-difluorophenyl)methylsulfonyl]-4-(hydroxymethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(2-fluoro-4-methylphenyl)methylsulfanyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[4-methyl-5-[(4-propan-2-ylphenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[4-methyl-5-[[2-(trifluoromethyl)phenyl]methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?

N-[5-[(2-chlorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide;N-[4-(difluoromethyl)-5-[(2,6-difluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(2,6-difluorophenyl)methylsulfonyl]-4-(fluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(2,6-difluorophenyl)methylsulfonyl]-4-(hydroxymethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(2-fluoro-4-methylphenyl)methylsulfanyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[4-methyl-5-[(4-propan-2-ylphenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[4-methyl-5-[[2-(trifluoromethyl)phenyl]methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide has a molecular weight of 2909.60 g/mol, XLogP of 25.66, 39 rotatable bonds, 8 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(2-chlorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide;N-[4-(difluoromethyl)-5-[(2,6-difluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(2,6-difluorophenyl)methylsulfonyl]-4-(fluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(2,6-difluorophenyl)methylsulfonyl]-4-(hydroxymethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(2-fluoro-4-methylphenyl)methylsulfanyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[4-methyl-5-[(4-propan-2-ylphenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[4-methyl-5-[[2-(trifluoromethyl)phenyl]methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 158809413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).