3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole

C95H110ClF3N24O3S3 — CID 160932297

About 3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole

3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 160932297) has the molecular formula C95H110ClF3N24O3S3 and a molecular weight of 1824.74 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole
• PubChem CID: 160932297
• Molecular Formula: C95H110ClF3N24O3S3
• Molecular Weight: 1824.74 g/mol
• Exact Mass: 1822.80
• IUPAC Name: 3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole
• SMILES: CC(C)c1n[nH]c(=S)n1C.CC(C)c1nc(-c2ccc(Cl)cc2)n[nH]1.CC(C)c1nc(-c2ccccc2)n[nH]1.CC(C)c1nc(-c2ccncc2)n[nH]1.CC(C)c1noc(-c2ccc(C(F)(F)F)nc2)n1.CC(C)c1noc(-c2ccccc2)n1.CC(C)c1noc(-c2ccncc2)n1.Cc1ccc(-c2cnc(C(C)C)s2)cc1.Cc1ccc(-c2cnc(C(C)C)s2)cn1
• InChI: InChI=1S/C13H15NS.C12H14N2S.C11H12ClN3.C11H10F3N3O.C11H13N3.C11H12N2O.C10H12N4.C10H11N3O.C6H11N3S/c1-9(2)13-14-8-12(15-13)11-6-4-10(3)5-7-11;1-8(2)12-14-7-11(15-12)10-5-4-9(3)13-6-10;1-7(2)10-13-11(15-14-10)8-3-5-9(12)6-4-8;1-6(2)9-16-10(18-17-9)7-3-4-8(15-5-7)11(12,13)14;2*1-8(2)10-12-11(14-13-10)9-6-4-3-5-7-9;2*1-7(2)9-12-10(14-13-9)8-3-5-11-6-4-8;1-4(2)5-7-8-6(10)9(5)3/h4-9H,1-3H3;4-8H,1-3H3;3-7H,1-2H3,(H,13,14,15);3-6H,1-2H3;3-8H,1-2H3,(H,12,13,14);3-8H,1-2H3;3-7H,1-2H3,(H,12,13,14);3-7H,1-2H3;4H,1-3H3,(H,8,10)
• InChIKey: STKQRJMCQWDJHI-UHFFFAOYSA-N
• XLogP: 25.70
• TPSA: 352.42 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 17
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1824.74
LogP ≤ 5	25.70
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole?

The IUPAC name of 3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole (CID 160932297) is 3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole.

What is the SMILES notation for 3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole?

The canonical SMILES for 3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole is CC(C)c1n[nH]c(=S)n1C.CC(C)c1nc(-c2ccc(Cl)cc2)n[nH]1.CC(C)c1nc(-c2ccccc2)n[nH]1.CC(C)c1nc(-c2ccncc2)n[nH]1.CC(C)c1noc(-c2ccc(C(F)(F)F)nc2)n1.CC(C)c1noc(-c2ccccc2)n1.CC(C)c1noc(-c2ccncc2)n1.Cc1ccc(-c2cnc(C(C)C)s2)cc1.Cc1ccc(-c2cnc(C(C)C)s2)cn1.

What is the InChIKey of 3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole?

The InChIKey is STKQRJMCQWDJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS.C12H14N2S.C11H12ClN3.C11H10F3N3O.C11H13N3.C11H12N2O.C10H12N4.C10H11N3O.C6H11N3S/c1-9(2)13-14-8-12(15-13)11-6-4-10(3)5-7-11;1-8(2)12-14-7-11(15-12)10-5-4-9(3)13-6-10;1-7(2)10-13-11(15-14-10)8-3-5-9(12)6-4-8;1-6(2)9-16-10(18-17-9)7-3-4-8(15-5-7)11(12,13)14;2*1-8(2)10-12-11(14-13-10)9-6-4-3-5-7-9;2*1-7(2)9-12-10(14-13-9)8-3-5-11-6-4-8;1-4(2)5-7-8-6(10)9(5)3/h4-9H,1-3H3;4-8H,1-3H3;3-7H,1-2H3,(H,13,14,15);3-6H,1-2H3;3-8H,1-2H3,(H,12,13,14);3-8H,1-2H3;3-7H,1-2H3,(H,12,13,14);3-7H,1-2H3;4H,1-3H3,(H,8,10).

What are the key properties of 3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole?

3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 1824.74 g/mol, XLogP of 25.70, 17 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 160932297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).