ethane;furan;hexakis(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2,4-oxadiazole;1,3-oxazole;1-propan-2-ylpyrazole;1,2,4-thiadiazole;1,3-thiazole;thiophene

C86H172N18O4S4 — CID 158585498

About ethane;furan;hexakis(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2,4-oxadiazole;1,3-oxazole;1-propan-2-ylpyrazole;1,2,4-thiadiazole;1,3-thiazole;thiophene

ethane;furan;hexakis(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2,4-oxadiazole;1,3-oxazole;1-propan-2-ylpyrazole;1,2,4-thiadiazole;1,3-thiazole;thiophene (PubChem CID 158585498) has the molecular formula C86H172N18O4S4 and a molecular weight of 1650.71 g/mol. Its IUPAC name is ethane;furan;hexakis(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2,4-oxadiazole;1,3-oxazole;1-propan-2-ylpyrazole;1,2,4-thiadiazole;1,3-thiazole;thiophene.

Molecular Properties

• Compound Name: ethane;furan;hexakis(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2,4-oxadiazole;1,3-oxazole;1-propan-2-ylpyrazole;1,2,4-thiadiazole;1,3-thiazole;thiophene
• PubChem CID: 158585498
• Molecular Formula: C86H172N18O4S4
• Molecular Weight: 1650.71 g/mol
• Exact Mass: 1649.27
• IUPAC Name: ethane;furan;hexakis(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2,4-oxadiazole;1,3-oxazole;1-propan-2-ylpyrazole;1,2,4-thiadiazole;1,3-thiazole;thiophene
• SMILES: CC.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)n1cccn1.Cc1n[nH]nc1C(C)C.Cc1nc(C(C)C)n[nH]1.Cc1nnc(C(C)C)o1.Cc1nnc(C(C)C)s1.c1ccoc1.c1ccsc1.c1cocn1.c1cscn1.c1ncon1.c1ncsn1
• InChI: InChI=1S/2C6H11N3.C6H10N2O.C6H10N2S.C6H10N2.C4H4O.C4H4S.6C4H10.C3H3NO.C3H3NS.C2H2N2O.C2H2N2S.7C2H6/c1-4(2)6-7-5(3)8-9-6;1-4(2)6-5(3)7-9-8-6;2*1-4(2)6-8-7-5(3)9-6;1-6(2)8-5-3-4-7-8;2*1-2-4-5-3-1;6*1-4(2)3;2*1-2-5-3-4-1;2*1-3-2-5-4-1;7*1-2/h2*4H,1-3H3,(H,7,8,9);2*4H,1-3H3;3-6H,1-2H3;2*1-4H;6*4H,1-3H3;2*1-3H;2*1-2H;7*1-2H3
• InChIKey: HTTUKSOBNGHTTB-UHFFFAOYSA-N
• XLogP: 30.02
• TPSA: 282.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 5
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1650.71
LogP ≤ 5	30.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of ethane;furan;hexakis(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2,4-oxadiazole;1,3-oxazole;1-propan-2-ylpyrazole;1,2,4-thiadiazole;1,3-thiazole;thiophene?

The IUPAC name of ethane;furan;hexakis(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2,4-oxadiazole;1,3-oxazole;1-propan-2-ylpyrazole;1,2,4-thiadiazole;1,3-thiazole;thiophene (CID 158585498) is ethane;furan;hexakis(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2,4-oxadiazole;1,3-oxazole;1-propan-2-ylpyrazole;1,2,4-thiadiazole;1,3-thiazole;thiophene.

What is the SMILES notation for ethane;furan;hexakis(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2,4-oxadiazole;1,3-oxazole;1-propan-2-ylpyrazole;1,2,4-thiadiazole;1,3-thiazole;thiophene?

The canonical SMILES for ethane;furan;hexakis(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2,4-oxadiazole;1,3-oxazole;1-propan-2-ylpyrazole;1,2,4-thiadiazole;1,3-thiazole;thiophene is CC.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)n1cccn1.Cc1n[nH]nc1C(C)C.Cc1nc(C(C)C)n[nH]1.Cc1nnc(C(C)C)o1.Cc1nnc(C(C)C)s1.c1ccoc1.c1ccsc1.c1cocn1.c1cscn1.c1ncon1.c1ncsn1.

What is the InChIKey of ethane;furan;hexakis(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2,4-oxadiazole;1,3-oxazole;1-propan-2-ylpyrazole;1,2,4-thiadiazole;1,3-thiazole;thiophene?

The InChIKey is HTTUKSOBNGHTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H11N3.C6H10N2O.C6H10N2S.C6H10N2.C4H4O.C4H4S.6C4H10.C3H3NO.C3H3NS.C2H2N2O.C2H2N2S.7C2H6/c1-4(2)6-7-5(3)8-9-6;1-4(2)6-5(3)7-9-8-6;2*1-4(2)6-8-7-5(3)9-6;1-6(2)8-5-3-4-7-8;2*1-2-4-5-3-1;6*1-4(2)3;2*1-2-5-3-4-1;2*1-3-2-5-4-1;7*1-2/h2*4H,1-3H3,(H,7,8,9);2*4H,1-3H3;3-6H,1-2H3;2*1-4H;6*4H,1-3H3;2*1-3H;2*1-2H;7*1-2H3.

What are the key properties of ethane;furan;hexakis(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2,4-oxadiazole;1,3-oxazole;1-propan-2-ylpyrazole;1,2,4-thiadiazole;1,3-thiazole;thiophene?

ethane;furan;hexakis(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2,4-oxadiazole;1,3-oxazole;1-propan-2-ylpyrazole;1,2,4-thiadiazole;1,3-thiazole;thiophene has a molecular weight of 1650.71 g/mol, XLogP of 30.02, 5 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;furan;hexakis(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2,4-oxadiazole;1,3-oxazole;1-propan-2-ylpyrazole;1,2,4-thiadiazole;1,3-thiazole;thiophene is sourced from PubChem (CID 158585498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).