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

C62H120N12O3S3 — CID 157234788

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

ethane;furan;tetrakis(2-methylpropane);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,3-oxazole;1,3-thiazole;thiophene (PubChem CID 157234788) has the molecular formula C62H120N12O3S3 and a molecular weight of 1177.92 g/mol. Its IUPAC name is ethane;furan;tetrakis(2-methylpropane);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,3-oxazole;1,3-thiazole;thiophene.

Molecular Properties

• Compound Name: ethane;furan;tetrakis(2-methylpropane);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,3-oxazole;1,3-thiazole;thiophene
• PubChem CID: 157234788
• Molecular Formula: C62H120N12O3S3
• Molecular Weight: 1177.92 g/mol
• Exact Mass: 1176.88
• IUPAC Name: ethane;furan;tetrakis(2-methylpropane);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,3-oxazole;1,3-thiazole;thiophene
• SMILES: CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.Cc1n[nH]nc1C(C)C.Cc1nc(C(C)C)n[nH]1.Cc1noc(C(C)C)n1.Cc1nsc(C(C)C)n1.c1ccoc1.c1ccsc1.c1cocn1.c1cscn1
• InChI: InChI=1S/2C6H11N3.C6H10N2O.C6H10N2S.C4H4O.C4H4S.4C4H10.C3H3NO.C3H3NS.4C2H6/c1-4(2)6-7-5(3)8-9-6;1-4(2)6-5(3)7-9-8-6;2*1-4(2)6-7-5(3)8-9-6;2*1-2-4-5-3-1;4*1-4(2)3;2*1-2-5-3-4-1;4*1-2/h2*4H,1-3H3,(H,7,8,9);2*4H,1-3H3;2*1-4H;4*4H,1-3H3;2*1-3H;4*1-2H3
• InChIKey: AUMWBKPBBQSAFA-UHFFFAOYSA-N
• XLogP: 21.54
• TPSA: 199.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 4
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1177.92
LogP ≤ 5	21.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

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

The IUPAC name of ethane;furan;tetrakis(2-methylpropane);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,3-oxazole;1,3-thiazole;thiophene (CID 157234788) is ethane;furan;tetrakis(2-methylpropane);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,3-oxazole;1,3-thiazole;thiophene.

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

The canonical SMILES for ethane;furan;tetrakis(2-methylpropane);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,3-oxazole;1,3-thiazole;thiophene is CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.Cc1n[nH]nc1C(C)C.Cc1nc(C(C)C)n[nH]1.Cc1noc(C(C)C)n1.Cc1nsc(C(C)C)n1.c1ccoc1.c1ccsc1.c1cocn1.c1cscn1.

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

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

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

ethane;furan;tetrakis(2-methylpropane);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,3-oxazole;1,3-thiazole;thiophene has a molecular weight of 1177.92 g/mol, XLogP of 21.54, 4 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;furan;tetrakis(2-methylpropane);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,3-oxazole;1,3-thiazole;thiophene is sourced from PubChem (CID 157234788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).