ethane;methane;hexakis(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;5-methyl-4-propan-2-ylthiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2-oxazole;1,3-oxazole;5-propan-2-yl-3H-1,2,4-triazole;1H-pyrazole;pyridine;3H-pyrrole;1,3-thiazole

C121H239N29O6S5 — CID 167612838

About ethane;methane;hexakis(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;5-methyl-4-propan-2-ylthiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2-oxazole;1,3-oxazole;5-propan-2-yl-3H-1,2,4-triazole;1H-pyrazole;pyridine;3H-pyrrole;1,3-thiazole

ethane;methane;hexakis(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;5-methyl-4-propan-2-ylthiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2-oxazole;1,3-oxazole;5-propan-2-yl-3H-1,2,4-triazole;1H-pyrazole;pyridine;3H-pyrrole;1,3-thiazole (PubChem CID 167612838) has the molecular formula C121H239N29O6S5 and a molecular weight of 2356.77 g/mol. Its IUPAC name is ethane;methane;hexakis(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;5-methyl-4-propan-2-ylthiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2-oxazole;1,3-oxazole;5-propan-2-yl-3H-1,2,4-triazole;1H-pyrazole;pyridine;3H-pyrrole;1,3-thiazole.

Molecular Properties

• Compound Name: ethane;methane;hexakis(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;5-methyl-4-propan-2-ylthiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2-oxazole;1,3-oxazole;5-propan-2-yl-3H-1,2,4-triazole;1H-pyrazole;pyridine;3H-pyrrole;1,3-thiazole
• PubChem CID: 167612838
• Molecular Formula: C121H239N29O6S5
• Molecular Weight: 2356.77 g/mol
• Exact Mass: 2354.79
• IUPAC Name: ethane;methane;hexakis(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;5-methyl-4-propan-2-ylthiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2-oxazole;1,3-oxazole;5-propan-2-yl-3H-1,2,4-triazole;1H-pyrazole;pyridine;3H-pyrrole;1,3-thiazole
• SMILES: C.C.C.C.C.C1=CN=CC1.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C1=NCN=N1.Cc1nc(C(C)C)n[nH]1.Cc1nc(C(C)C)no1.Cc1nc(C(C)C)ns1.Cc1nnc(C(C)C)o1.Cc1nnc(C(C)C)s1.Cc1noc(C(C)C)n1.Cc1nonc1C(C)C.Cc1nsc(C(C)C)n1.Cc1snnc1C(C)C.c1ccncc1.c1cn[nH]c1.c1cnoc1.c1cocn1.c1cscn1
• InChI: InChI=1S/C6H11N3.4C6H10N2O.4C6H10N2S.C5H9N3.C5H5N.C4H5N.6C4H10.C3H4N2.2C3H3NO.C3H3NS.6C2H6.5CH4/c1-4(2)6-7-5(3)8-9-6;1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)9-8-6;1-4(2)6-7-5(3)8-9-6;1-4(2)6-5(3)7-9-8-6;1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)9-8-6;1-4(2)6-7-5(3)8-9-6;1-4(2)6-5(3)9-8-7-6;1-4(2)5-6-3-7-8-5;1-2-4-6-5-3-1;1-2-4-5-3-1;6*1-4(2)3;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;6*1-2;;;;;/h4H,1-3H3,(H,7,8,9);8*4H,1-3H3;4H,3H2,1-2H3;1-5H;1,3-4H,2H2;6*4H,1-3H3;1-3H,(H,4,5);3*1-3H;6*1-2H3;5*1H4
• InChIKey: LHTRNIBNKLCUTF-UHFFFAOYSA-N
• XLogP: 40.86
• TPSA: 456.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 38
• Rotatable Bonds: 10
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2356.77
LogP ≤ 5	40.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of ethane;methane;hexakis(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;5-methyl-4-propan-2-ylthiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2-oxazole;1,3-oxazole;5-propan-2-yl-3H-1,2,4-triazole;1H-pyrazole;pyridine;3H-pyrrole;1,3-thiazole?

The IUPAC name of ethane;methane;hexakis(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;5-methyl-4-propan-2-ylthiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2-oxazole;1,3-oxazole;5-propan-2-yl-3H-1,2,4-triazole;1H-pyrazole;pyridine;3H-pyrrole;1,3-thiazole (CID 167612838) is ethane;methane;hexakis(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;5-methyl-4-propan-2-ylthiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2-oxazole;1,3-oxazole;5-propan-2-yl-3H-1,2,4-triazole;1H-pyrazole;pyridine;3H-pyrrole;1,3-thiazole.

What is the SMILES notation for ethane;methane;hexakis(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;5-methyl-4-propan-2-ylthiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2-oxazole;1,3-oxazole;5-propan-2-yl-3H-1,2,4-triazole;1H-pyrazole;pyridine;3H-pyrrole;1,3-thiazole?

The canonical SMILES for ethane;methane;hexakis(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;5-methyl-4-propan-2-ylthiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2-oxazole;1,3-oxazole;5-propan-2-yl-3H-1,2,4-triazole;1H-pyrazole;pyridine;3H-pyrrole;1,3-thiazole is C.C.C.C.C.C1=CN=CC1.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C1=NCN=N1.Cc1nc(C(C)C)n[nH]1.Cc1nc(C(C)C)no1.Cc1nc(C(C)C)ns1.Cc1nnc(C(C)C)o1.Cc1nnc(C(C)C)s1.Cc1noc(C(C)C)n1.Cc1nonc1C(C)C.Cc1nsc(C(C)C)n1.Cc1snnc1C(C)C.c1ccncc1.c1cn[nH]c1.c1cnoc1.c1cocn1.c1cscn1.

What is the InChIKey of ethane;methane;hexakis(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;5-methyl-4-propan-2-ylthiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2-oxazole;1,3-oxazole;5-propan-2-yl-3H-1,2,4-triazole;1H-pyrazole;pyridine;3H-pyrrole;1,3-thiazole?

The InChIKey is LHTRNIBNKLCUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3.4C6H10N2O.4C6H10N2S.C5H9N3.C5H5N.C4H5N.6C4H10.C3H4N2.2C3H3NO.C3H3NS.6C2H6.5CH4/c1-4(2)6-7-5(3)8-9-6;1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)9-8-6;1-4(2)6-7-5(3)8-9-6;1-4(2)6-5(3)7-9-8-6;1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)9-8-6;1-4(2)6-7-5(3)8-9-6;1-4(2)6-5(3)9-8-7-6;1-4(2)5-6-3-7-8-5;1-2-4-6-5-3-1;1-2-4-5-3-1;6*1-4(2)3;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;6*1-2;;;;;/h4H,1-3H3,(H,7,8,9);8*4H,1-3H3;4H,3H2,1-2H3;1-5H;1,3-4H,2H2;6*4H,1-3H3;1-3H,(H,4,5);3*1-3H;6*1-2H3;5*1H4.

What are the key properties of ethane;methane;hexakis(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;5-methyl-4-propan-2-ylthiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2-oxazole;1,3-oxazole;5-propan-2-yl-3H-1,2,4-triazole;1H-pyrazole;pyridine;3H-pyrrole;1,3-thiazole?

ethane;methane;hexakis(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;5-methyl-4-propan-2-ylthiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2-oxazole;1,3-oxazole;5-propan-2-yl-3H-1,2,4-triazole;1H-pyrazole;pyridine;3H-pyrrole;1,3-thiazole has a molecular weight of 2356.77 g/mol, XLogP of 40.86, 10 rotatable bonds, 2 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;methane;hexakis(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;5-methyl-4-propan-2-ylthiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2-oxazole;1,3-oxazole;5-propan-2-yl-3H-1,2,4-triazole;1H-pyrazole;pyridine;3H-pyrrole;1,3-thiazole is sourced from PubChem (CID 167612838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).