N-[4-[2-chloro-6-methyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[4-[2,6-dimethyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide;N-[4-[2,6-dimethyl-4-[(4-methylphenyl)methyl]phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[4-[2,6-dimethyl-4-(4-methylphenyl)sulfanylphenyl]-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide

C96H81ClF2N12O6S5 — CID 123977463

About N-[4-[2-chloro-6-methyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[4-[2,6-dimethyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide;N-[4-[2,6-dimethyl-4-[(4-methylphenyl)methyl]phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[4-[2,6-dimethyl-4-(4-methylphenyl)sulfanylphenyl]-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide

N-[4-[2-chloro-6-methyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[4-[2,6-dimethyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide;N-[4-[2,6-dimethyl-4-[(4-methylphenyl)methyl]phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[4-[2,6-dimethyl-4-(4-methylphenyl)sulfanylphenyl]-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide (PubChem CID 123977463) has the molecular formula C96H81ClF2N12O6S5 and a molecular weight of 1732.57 g/mol. Its IUPAC name is N-[4-[2-chloro-6-methyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[4-[2,6-dimethyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide;N-[4-[2,6-dimethyl-4-[(4-methylphenyl)methyl]phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[4-[2,6-dimethyl-4-(4-methylphenyl)sulfanylphenyl]-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-chloro-6-methyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[4-[2,6-dimethyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide;N-[4-[2,6-dimethyl-4-[(4-methylphenyl)methyl]phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[4-[2,6-dimethyl-4-(4-methylphenyl)sulfanylphenyl]-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide
• PubChem CID: 123977463
• Molecular Formula: C96H81ClF2N12O6S5
• Molecular Weight: 1732.57 g/mol
• Exact Mass: 1730.47
• IUPAC Name: N-[4-[2-chloro-6-methyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[4-[2,6-dimethyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide;N-[4-[2,6-dimethyl-4-[(4-methylphenyl)methyl]phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[4-[2,6-dimethyl-4-(4-methylphenyl)sulfanylphenyl]-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide
• SMILES: Cc1ccc(Cc2cc(C)c(-c3csc(NC(=O)c4ccncc4)n3)c(C)c2)cc1.Cc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccnc(F)c4)n3)c(C)c2)cc1.Cc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccncc4)n3)c(Cl)c2)cc1.Cc1ccc(Sc2cc(C)c(-c3csc(NC(=O)c4ccnc(F)c4)n3)c(C)c2)cc1
• InChI: InChI=1S/C25H23N3OS.C24H20FN3O2S.C24H20FN3OS2.C23H18ClN3O2S/c1-16-4-6-19(7-5-16)14-20-12-17(2)23(18(3)13-20)22-15-30-25(27-22)28-24(29)21-8-10-26-11-9-21;1-14-4-6-18(7-5-14)30-19-10-15(2)22(16(3)11-19)20-13-31-24(27-20)28-23(29)17-8-9-26-21(25)12-17;1-14-4-6-18(7-5-14)31-19-10-15(2)22(16(3)11-19)20-13-30-24(27-20)28-23(29)17-8-9-26-21(25)12-17;1-14-3-5-17(6-4-14)29-18-11-15(2)21(19(24)12-18)20-13-30-23(26-20)27-22(28)16-7-9-25-10-8-16/h4-13,15H,14H2,1-3H3,(H,27,28,29);2*4-13H,1-3H3,(H,27,28,29);3-13H,1-2H3,(H,26,27,28)
• InChIKey: PVCIHHBCZPCUFV-UHFFFAOYSA-N
• XLogP: 25.48
• TPSA: 237.98 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 20
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1732.57
LogP ≤ 5	25.48
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-chloro-6-methyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[4-[2,6-dimethyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide;N-[4-[2,6-dimethyl-4-[(4-methylphenyl)methyl]phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[4-[2,6-dimethyl-4-(4-methylphenyl)sulfanylphenyl]-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide?

The IUPAC name of N-[4-[2-chloro-6-methyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[4-[2,6-dimethyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide;N-[4-[2,6-dimethyl-4-[(4-methylphenyl)methyl]phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[4-[2,6-dimethyl-4-(4-methylphenyl)sulfanylphenyl]-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide (CID 123977463) is N-[4-[2-chloro-6-methyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[4-[2,6-dimethyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide;N-[4-[2,6-dimethyl-4-[(4-methylphenyl)methyl]phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[4-[2,6-dimethyl-4-(4-methylphenyl)sulfanylphenyl]-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide.

What is the SMILES notation for N-[4-[2-chloro-6-methyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[4-[2,6-dimethyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide;N-[4-[2,6-dimethyl-4-[(4-methylphenyl)methyl]phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[4-[2,6-dimethyl-4-(4-methylphenyl)sulfanylphenyl]-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide?

The canonical SMILES for N-[4-[2-chloro-6-methyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[4-[2,6-dimethyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide;N-[4-[2,6-dimethyl-4-[(4-methylphenyl)methyl]phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[4-[2,6-dimethyl-4-(4-methylphenyl)sulfanylphenyl]-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide is Cc1ccc(Cc2cc(C)c(-c3csc(NC(=O)c4ccncc4)n3)c(C)c2)cc1.Cc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccnc(F)c4)n3)c(C)c2)cc1.Cc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccncc4)n3)c(Cl)c2)cc1.Cc1ccc(Sc2cc(C)c(-c3csc(NC(=O)c4ccnc(F)c4)n3)c(C)c2)cc1.

What is the InChIKey of N-[4-[2-chloro-6-methyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[4-[2,6-dimethyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide;N-[4-[2,6-dimethyl-4-[(4-methylphenyl)methyl]phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[4-[2,6-dimethyl-4-(4-methylphenyl)sulfanylphenyl]-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide?

The InChIKey is PVCIHHBCZPCUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3OS.C24H20FN3O2S.C24H20FN3OS2.C23H18ClN3O2S/c1-16-4-6-19(7-5-16)14-20-12-17(2)23(18(3)13-20)22-15-30-25(27-22)28-24(29)21-8-10-26-11-9-21;1-14-4-6-18(7-5-14)30-19-10-15(2)22(16(3)11-19)20-13-31-24(27-20)28-23(29)17-8-9-26-21(25)12-17;1-14-4-6-18(7-5-14)31-19-10-15(2)22(16(3)11-19)20-13-30-24(27-20)28-23(29)17-8-9-26-21(25)12-17;1-14-3-5-17(6-4-14)29-18-11-15(2)21(19(24)12-18)20-13-30-23(26-20)27-22(28)16-7-9-25-10-8-16/h4-13,15H,14H2,1-3H3,(H,27,28,29);2*4-13H,1-3H3,(H,27,28,29);3-13H,1-2H3,(H,26,27,28).

What are the key properties of N-[4-[2-chloro-6-methyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[4-[2,6-dimethyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide;N-[4-[2,6-dimethyl-4-[(4-methylphenyl)methyl]phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[4-[2,6-dimethyl-4-(4-methylphenyl)sulfanylphenyl]-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide?

N-[4-[2-chloro-6-methyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[4-[2,6-dimethyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide;N-[4-[2,6-dimethyl-4-[(4-methylphenyl)methyl]phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[4-[2,6-dimethyl-4-(4-methylphenyl)sulfanylphenyl]-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide has a molecular weight of 1732.57 g/mol, XLogP of 25.48, 20 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-chloro-6-methyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[4-[2,6-dimethyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide;N-[4-[2,6-dimethyl-4-[(4-methylphenyl)methyl]phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[4-[2,6-dimethyl-4-(4-methylphenyl)sulfanylphenyl]-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 123977463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).