2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine;N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropyl]-6-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide;6-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carboxylic acid

C44H42Cl2N10O5S2 — CID 158615619

About 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine;N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropyl]-6-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide;6-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carboxylic acid

2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine;N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropyl]-6-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide;6-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carboxylic acid (PubChem CID 158615619) has the molecular formula C44H42Cl2N10O5S2 and a molecular weight of 925.92 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine;N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropyl]-6-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide;6-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine;N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropyl]-6-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide;6-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carboxylic acid
• PubChem CID: 158615619
• Molecular Formula: C44H42Cl2N10O5S2
• Molecular Weight: 925.92 g/mol
• Exact Mass: 924.22
• IUPAC Name: 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine;N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropyl]-6-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide;6-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carboxylic acid
• SMILES: CC(C)(CN)c1nc(-c2ccc(Cl)cc2)cs1.Cc1nc(-c2cccc(C(=O)NCC(C)(C)c3nc(-c4ccc(Cl)cc4)cs3)n2)no1.Cc1nc(-c2cccc(C(=O)O)n2)no1
• InChI: InChI=1S/C22H20ClN5O2S.C13H15ClN2S.C9H7N3O3/c1-13-25-19(28-30-13)16-5-4-6-17(26-16)20(29)24-12-22(2,3)21-27-18(11-31-21)14-7-9-15(23)10-8-14;1-13(2,8-15)12-16-11(7-17-12)9-3-5-10(14)6-4-9;1-5-10-8(12-15-5)6-3-2-4-7(11-6)9(13)14/h4-11H,12H2,1-3H3,(H,24,29);3-7H,8,15H2,1-2H3;2-4H,1H3,(H,13,14)
• InChIKey: HXIUEHLNRSVBGN-UHFFFAOYSA-N
• XLogP: 9.76
• 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	925.92
LogP ≤ 5	9.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine;N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropyl]-6-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide;6-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carboxylic acid?

The IUPAC name of 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine;N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropyl]-6-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide;6-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carboxylic acid (CID 158615619) is 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine;N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropyl]-6-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide;6-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carboxylic acid.

What is the SMILES notation for 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine;N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropyl]-6-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide;6-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carboxylic acid?

The canonical SMILES for 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine;N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropyl]-6-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide;6-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carboxylic acid is CC(C)(CN)c1nc(-c2ccc(Cl)cc2)cs1.Cc1nc(-c2cccc(C(=O)NCC(C)(C)c3nc(-c4ccc(Cl)cc4)cs3)n2)no1.Cc1nc(-c2cccc(C(=O)O)n2)no1.

What is the InChIKey of 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine;N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropyl]-6-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide;6-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carboxylic acid?

The InChIKey is HXIUEHLNRSVBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O2S.C13H15ClN2S.C9H7N3O3/c1-13-25-19(28-30-13)16-5-4-6-17(26-16)20(29)24-12-22(2,3)21-27-18(11-31-21)14-7-9-15(23)10-8-14;1-13(2,8-15)12-16-11(7-17-12)9-3-5-10(14)6-4-9;1-5-10-8(12-15-5)6-3-2-4-7(11-6)9(13)14/h4-11H,12H2,1-3H3,(H,24,29);3-7H,8,15H2,1-2H3;2-4H,1H3,(H,13,14).

What are the key properties of 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine;N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropyl]-6-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide;6-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carboxylic acid?

2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine;N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropyl]-6-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide;6-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carboxylic acid has a molecular weight of 925.92 g/mol, XLogP of 9.76, 11 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine;N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropyl]-6-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide;6-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 158615619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).