cyclopenta-1,3-diene;ethane;furan;4H-imidazole;dodecakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;1-propan-2-yl-1,2,4-triazole;2H-pyrrole;3H-pyrrole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene

C144H300N20O4S4 — CID 157415152

About cyclopenta-1,3-diene;ethane;furan;4H-imidazole;dodecakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;1-propan-2-yl-1,2,4-triazole;2H-pyrrole;3H-pyrrole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene

cyclopenta-1,3-diene;ethane;furan;4H-imidazole;dodecakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;1-propan-2-yl-1,2,4-triazole;2H-pyrrole;3H-pyrrole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene (PubChem CID 157415152) has the molecular formula C144H300N20O4S4 and a molecular weight of 2504.39 g/mol. Its IUPAC name is cyclopenta-1,3-diene;ethane;furan;4H-imidazole;dodecakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;1-propan-2-yl-1,2,4-triazole;2H-pyrrole;3H-pyrrole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene.

Molecular Properties

• Compound Name: cyclopenta-1,3-diene;ethane;furan;4H-imidazole;dodecakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;1-propan-2-yl-1,2,4-triazole;2H-pyrrole;3H-pyrrole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene
• PubChem CID: 157415152
• Molecular Formula: C144H300N20O4S4
• Molecular Weight: 2504.39 g/mol
• Exact Mass: 2502.28
• IUPAC Name: cyclopenta-1,3-diene;ethane;furan;4H-imidazole;dodecakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;1-propan-2-yl-1,2,4-triazole;2H-pyrrole;3H-pyrrole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene
• SMILES: C1=CCC=C1.C1=CCN=C1.C1=CN=CC1.C1=NC=NC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.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)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)n1cccc1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1cncn1.c1ccoc1.c1ccsc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1ncon1.c1ncsn1
• InChI: InChI=1S/C7H11N.2C6H10N2.C5H9N3.C5H6.2C4H5N.C4H4O.C4H4S.12C4H10.C3H4N2.2C3H3NO.2C3H3NS.C2H2N2O.C2H2N2S.16C2H6/c1-7(2)8-5-3-4-6-8;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;1-5(2)8-4-6-3-7-8;5*1-2-4-5-3-1;12*1-4(2)3;2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-3-2-5-4-1;16*1-2/h3-7H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3;1-4H,5H2;1,3-4H,2H2;1-3H,4H2;2*1-4H;12*4H,1-3H3;1,3H,2H2;4*1-3H;2*1-2H;16*1-2H3
• InChIKey: BOTHBWPKCNWEEQ-UHFFFAOYSA-N
• XLogP: 52.70
• TPSA: 276.40 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 4
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2504.39
LogP ≤ 5	52.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;ethane;furan;4H-imidazole;dodecakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;1-propan-2-yl-1,2,4-triazole;2H-pyrrole;3H-pyrrole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene?

The IUPAC name of cyclopenta-1,3-diene;ethane;furan;4H-imidazole;dodecakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;1-propan-2-yl-1,2,4-triazole;2H-pyrrole;3H-pyrrole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene (CID 157415152) is cyclopenta-1,3-diene;ethane;furan;4H-imidazole;dodecakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;1-propan-2-yl-1,2,4-triazole;2H-pyrrole;3H-pyrrole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene.

What is the SMILES notation for cyclopenta-1,3-diene;ethane;furan;4H-imidazole;dodecakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;1-propan-2-yl-1,2,4-triazole;2H-pyrrole;3H-pyrrole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene?

The canonical SMILES for cyclopenta-1,3-diene;ethane;furan;4H-imidazole;dodecakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;1-propan-2-yl-1,2,4-triazole;2H-pyrrole;3H-pyrrole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene is C1=CCC=C1.C1=CCN=C1.C1=CN=CC1.C1=NC=NC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.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)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)n1cccc1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1cncn1.c1ccoc1.c1ccsc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1ncon1.c1ncsn1.

What is the InChIKey of cyclopenta-1,3-diene;ethane;furan;4H-imidazole;dodecakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;1-propan-2-yl-1,2,4-triazole;2H-pyrrole;3H-pyrrole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene?

The InChIKey is BOTHBWPKCNWEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.2C6H10N2.C5H9N3.C5H6.2C4H5N.C4H4O.C4H4S.12C4H10.C3H4N2.2C3H3NO.2C3H3NS.C2H2N2O.C2H2N2S.16C2H6/c1-7(2)8-5-3-4-6-8;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;1-5(2)8-4-6-3-7-8;5*1-2-4-5-3-1;12*1-4(2)3;2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-3-2-5-4-1;16*1-2/h3-7H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3;1-4H,5H2;1,3-4H,2H2;1-3H,4H2;2*1-4H;12*4H,1-3H3;1,3H,2H2;4*1-3H;2*1-2H;16*1-2H3.

What are the key properties of cyclopenta-1,3-diene;ethane;furan;4H-imidazole;dodecakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;1-propan-2-yl-1,2,4-triazole;2H-pyrrole;3H-pyrrole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene?

cyclopenta-1,3-diene;ethane;furan;4H-imidazole;dodecakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;1-propan-2-yl-1,2,4-triazole;2H-pyrrole;3H-pyrrole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene has a molecular weight of 2504.39 g/mol, XLogP of 52.70, 4 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopenta-1,3-diene;ethane;furan;4H-imidazole;dodecakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;1-propan-2-yl-1,2,4-triazole;2H-pyrrole;3H-pyrrole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene is sourced from PubChem (CID 157415152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).