N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid

C₄₄H₄₂ClFN₁₀O₅S₂ — CID 159075127

About N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid

N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid (PubChem CID 159075127) has the molecular formula C₄₄H₄₂ClFN₁₀O₅S₂ and a molecular weight of 909.47 g/mol. Its IUPAC name is N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid
• PubChem CID: 159075127
• Molecular Formula: C₄₄H₄₂ClFN₁₀O₅S₂
• Molecular Weight: 909.47 g/mol
• Exact Mass: 908.25
• IUPAC Name: N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid
• SMILES: CC(C)(CN)c1nc(-c2ccc(F)cc2)cs1.Cc1nc(-c2cncc(C(=O)NCC(C)(C)c3nc(-c4ccc(Cl)cc4)cs3)c2)no1.Cc1nc(-c2cncc(C(=O)O)c2)no1
• InChI: InChI=1S/C22H20ClN5O2S.C13H15FN2S.C9H7N3O3/c1-13-26-19(28-30-13)15-8-16(10-24-9-15)20(29)25-12-22(2,3)21-27-18(11-31-21)14-4-6-17(23)7-5-14;1-13(2,8-15)12-16-11(7-17-12)9-3-5-10(14)6-4-9;1-5-11-8(12-15-5)6-2-7(9(13)14)4-10-3-6/h4-11H,12H2,1-3H3,(H,25,29);3-7H,8,15H2,1-2H3;2-4H,1H3,(H,13,14)
• InChIKey: KADOXOYQKCYGSO-UHFFFAOYSA-N
• XLogP: 9.25
• TPSA: 221.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	909.47
LogP ≤ 5	9.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid?

The IUPAC name of N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid (CID 159075127) is N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid.

What is the SMILES notation for N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid?

The canonical SMILES for N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid is CC(C)(CN)c1nc(-c2ccc(F)cc2)cs1.Cc1nc(-c2cncc(C(=O)NCC(C)(C)c3nc(-c4ccc(Cl)cc4)cs3)c2)no1.Cc1nc(-c2cncc(C(=O)O)c2)no1.

What is the InChIKey of N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid?

The InChIKey is KADOXOYQKCYGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O2S.C13H15FN2S.C9H7N3O3/c1-13-26-19(28-30-13)15-8-16(10-24-9-15)20(29)25-12-22(2,3)21-27-18(11-31-21)14-4-6-17(23)7-5-14;1-13(2,8-15)12-16-11(7-17-12)9-3-5-10(14)6-4-9;1-5-11-8(12-15-5)6-2-7(9(13)14)4-10-3-6/h4-11H,12H2,1-3H3,(H,25,29);3-7H,8,15H2,1-2H3;2-4H,1H3,(H,13,14).

What are the key properties of N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid?

N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid has a molecular weight of 909.47 g/mol, XLogP of 9.25, 11 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 159075127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159075127 — identifiers, structure, computed properties (public domain)

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