2-tert-butyl-4-phenyl-1,3-thiazole;5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylthiophene;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;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole

C157H202ClF3N20O7S8 — CID 158313612

About 2-tert-butyl-4-phenyl-1,3-thiazole;5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylthiophene;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;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole

2-tert-butyl-4-phenyl-1,3-thiazole;5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylthiophene;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;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 158313612) has the molecular formula C157H202ClF3N20O7S8 and a molecular weight of 2830.46 g/mol. Its IUPAC name is 2-tert-butyl-4-phenyl-1,3-thiazole;5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylthiophene;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;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 2-tert-butyl-4-phenyl-1,3-thiazole;5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylthiophene;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;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole
• PubChem CID: 158313612
• Molecular Formula: C157H202ClF3N20O7S8
• Molecular Weight: 2830.46 g/mol
• Exact Mass: 2827.35
• IUPAC Name: 2-tert-butyl-4-phenyl-1,3-thiazole;5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylthiophene;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;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole
• SMILES: CC(C)(C)c1nc(-c2ccccc2)cs1.CC(C)c1ccc(C(C)C)[nH]1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1n[nH]c(=S)n1C.CC(C)c1ncc(-c2ccccc2)s1.CC(C)c1ncc(-c2ccncc2)s1.CC(C)c1noc(-c2ccc(C(F)(F)F)nc2)n1.CC(C)c1noc(-c2ccc(Cl)cc2)n1.CC(C)c1noc(-c2ccccc2)n1.CC(C)c1noc(-c2ccncc2)n1.Cc1ccc(-c2cnc(C(C)C)s2)cn1.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)s1
• InChI: InChI=1S/C13H15NS.C12H14N2S.C12H13NS.C11H11ClN2O.C11H10F3N3O.C11H12N2O.C11H12N2S.C10H11N3O.C10H17N.C10H16O.C10H16S.C8H12O.C8H12S.C7H10O.C7H10S.C6H11N3S/c1-13(2,3)12-14-11(9-15-12)10-7-5-4-6-8-10;1-8(2)12-14-7-11(15-12)10-5-4-9(3)13-6-10;1-9(2)12-13-8-11(14-12)10-6-4-3-5-7-10;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;1-8(2)10-12-11(14-13-10)9-6-4-3-5-7-9;1-8(2)11-13-7-10(14-11)9-3-5-12-6-4-9;1-7(2)9-12-10(14-13-9)8-3-5-11-6-4-8;3*1-7(2)9-5-6-10(11-9)8(3)4;2*1-6(2)8-5-4-7(3)9-8;2*1-6(2)7-4-3-5-8-7;1-4(2)5-7-8-6(10)9(5)3/h4-9H,1-3H3;4-8H,1-3H3;3-9H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;2*3-8H,1-2H3;3-7H,1-2H3;5-8,11H,1-4H3;2*5-8H,1-4H3;2*4-6H,1-3H3;2*3-6H,1-2H3;4H,1-3H3,(H,8,10)
• InChIKey: GNZCCVPMONDWCM-UHFFFAOYSA-N
• XLogP: 50.46
• TPSA: 347.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 33
• Rotatable Bonds: 26
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2830.46
LogP ≤ 5	50.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-phenyl-1,3-thiazole;5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylthiophene;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;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole?

The IUPAC name of 2-tert-butyl-4-phenyl-1,3-thiazole;5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylthiophene;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;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole (CID 158313612) is 2-tert-butyl-4-phenyl-1,3-thiazole;5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylthiophene;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;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole.

What is the SMILES notation for 2-tert-butyl-4-phenyl-1,3-thiazole;5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylthiophene;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;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole?

The canonical SMILES for 2-tert-butyl-4-phenyl-1,3-thiazole;5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylthiophene;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;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole is CC(C)(C)c1nc(-c2ccccc2)cs1.CC(C)c1ccc(C(C)C)[nH]1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1n[nH]c(=S)n1C.CC(C)c1ncc(-c2ccccc2)s1.CC(C)c1ncc(-c2ccncc2)s1.CC(C)c1noc(-c2ccc(C(F)(F)F)nc2)n1.CC(C)c1noc(-c2ccc(Cl)cc2)n1.CC(C)c1noc(-c2ccccc2)n1.CC(C)c1noc(-c2ccncc2)n1.Cc1ccc(-c2cnc(C(C)C)s2)cn1.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)s1.

What is the InChIKey of 2-tert-butyl-4-phenyl-1,3-thiazole;5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylthiophene;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;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole?

The InChIKey is GNZCCVPMONDWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS.C12H14N2S.C12H13NS.C11H11ClN2O.C11H10F3N3O.C11H12N2O.C11H12N2S.C10H11N3O.C10H17N.C10H16O.C10H16S.C8H12O.C8H12S.C7H10O.C7H10S.C6H11N3S/c1-13(2,3)12-14-11(9-15-12)10-7-5-4-6-8-10;1-8(2)12-14-7-11(15-12)10-5-4-9(3)13-6-10;1-9(2)12-13-8-11(14-12)10-6-4-3-5-7-10;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;1-8(2)10-12-11(14-13-10)9-6-4-3-5-7-9;1-8(2)11-13-7-10(14-11)9-3-5-12-6-4-9;1-7(2)9-12-10(14-13-9)8-3-5-11-6-4-8;3*1-7(2)9-5-6-10(11-9)8(3)4;2*1-6(2)8-5-4-7(3)9-8;2*1-6(2)7-4-3-5-8-7;1-4(2)5-7-8-6(10)9(5)3/h4-9H,1-3H3;4-8H,1-3H3;3-9H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;2*3-8H,1-2H3;3-7H,1-2H3;5-8,11H,1-4H3;2*5-8H,1-4H3;2*4-6H,1-3H3;2*3-6H,1-2H3;4H,1-3H3,(H,8,10).

What are the key properties of 2-tert-butyl-4-phenyl-1,3-thiazole;5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylthiophene;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;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole?

2-tert-butyl-4-phenyl-1,3-thiazole;5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylthiophene;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;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 2830.46 g/mol, XLogP of 50.46, 26 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-4-phenyl-1,3-thiazole;5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylthiophene;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;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 158313612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).