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-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide;6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxylic acid

C44H36Cl2F6N10O5S2 — CID 159832412

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-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide;6-[5-(trifluoromethyl)-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-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide;6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxylic acid (PubChem CID 159832412) has the molecular formula C44H36Cl2F6N10O5S2 and a molecular weight of 1033.86 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-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide;6-[5-(trifluoromethyl)-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-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide;6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxylic acid
• PubChem CID: 159832412
• Molecular Formula: C44H36Cl2F6N10O5S2
• Molecular Weight: 1033.86 g/mol
• Exact Mass: 1032.16
• 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-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide;6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxylic acid
• SMILES: CC(C)(CN)c1nc(-c2ccc(Cl)cc2)cs1.CC(C)(CNC(=O)c1cccc(-c2noc(C(F)(F)F)n2)n1)c1nc(-c2ccc(Cl)cc2)cs1.O=C(O)c1cccc(-c2noc(C(F)(F)F)n2)n1
• InChI: InChI=1S/C22H17ClF3N5O2S.C13H15ClN2S.C9H4F3N3O3/c1-21(2,20-29-16(10-34-20)12-6-8-13(23)9-7-12)11-27-18(32)15-5-3-4-14(28-15)17-30-19(33-31-17)22(24,25)26;1-13(2,8-15)12-16-11(7-17-12)9-3-5-10(14)6-4-9;10-9(11,12)8-14-6(15-18-8)4-2-1-3-5(13-4)7(16)17/h3-10H,11H2,1-2H3,(H,27,32);3-7H,8,15H2,1-2H3;1-3H,(H,16,17)
• InChIKey: NNPVTBFUUIFCMR-UHFFFAOYSA-N
• XLogP: 11.18
• TPSA: 221.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1033.86
LogP ≤ 5	11.18
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-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide;6-[5-(trifluoromethyl)-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-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide;6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxylic acid (CID 159832412) 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-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide;6-[5-(trifluoromethyl)-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-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide;6-[5-(trifluoromethyl)-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-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide;6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxylic acid is CC(C)(CN)c1nc(-c2ccc(Cl)cc2)cs1.CC(C)(CNC(=O)c1cccc(-c2noc(C(F)(F)F)n2)n1)c1nc(-c2ccc(Cl)cc2)cs1.O=C(O)c1cccc(-c2noc(C(F)(F)F)n2)n1.

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-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide;6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxylic acid?

The InChIKey is NNPVTBFUUIFCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF3N5O2S.C13H15ClN2S.C9H4F3N3O3/c1-21(2,20-29-16(10-34-20)12-6-8-13(23)9-7-12)11-27-18(32)15-5-3-4-14(28-15)17-30-19(33-31-17)22(24,25)26;1-13(2,8-15)12-16-11(7-17-12)9-3-5-10(14)6-4-9;10-9(11,12)8-14-6(15-18-8)4-2-1-3-5(13-4)7(16)17/h3-10H,11H2,1-2H3,(H,27,32);3-7H,8,15H2,1-2H3;1-3H,(H,16,17).

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-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide;6-[5-(trifluoromethyl)-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-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide;6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxylic acid has a molecular weight of 1033.86 g/mol, XLogP of 11.18, 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-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide;6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 159832412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).