cyclopenta-1,3-diene;ethane;furan;2H-imidazole;4H-imidazole;methane;henicosakis(2-methylpropane);1,2,4-oxadiazole;1,2,5-oxadiazole;bis(1,3,4-oxadiazole);1,2-oxazole;1,3-oxazole;3H-pyrazole;4H-pyrazole;2H-pyrrole;3H-pyrrole;1,2,4-thiadiazole;1,2,5-thiadiazole;bis(1,3,4-thiadiazole);1,2-thiazole;1,3-thiazole;thiophene

C188H408N30O7S7 — CID 158022670

About cyclopenta-1,3-diene;ethane;furan;2H-imidazole;4H-imidazole;methane;henicosakis(2-methylpropane);1,2,4-oxadiazole;1,2,5-oxadiazole;bis(1,3,4-oxadiazole);1,2-oxazole;1,3-oxazole;3H-pyrazole;4H-pyrazole;2H-pyrrole;3H-pyrrole;1,2,4-thiadiazole;1,2,5-thiadiazole;bis(1,3,4-thiadiazole);1,2-thiazole;1,3-thiazole;thiophene

cyclopenta-1,3-diene;ethane;furan;2H-imidazole;4H-imidazole;methane;henicosakis(2-methylpropane);1,2,4-oxadiazole;1,2,5-oxadiazole;bis(1,3,4-oxadiazole);1,2-oxazole;1,3-oxazole;3H-pyrazole;4H-pyrazole;2H-pyrrole;3H-pyrrole;1,2,4-thiadiazole;1,2,5-thiadiazole;bis(1,3,4-thiadiazole);1,2-thiazole;1,3-thiazole;thiophene (PubChem CID 158022670) has the molecular formula C188H408N30O7S7 and a molecular weight of 3426.00 g/mol. Its IUPAC name is cyclopenta-1,3-diene;ethane;furan;2H-imidazole;4H-imidazole;methane;henicosakis(2-methylpropane);1,2,4-oxadiazole;1,2,5-oxadiazole;bis(1,3,4-oxadiazole);1,2-oxazole;1,3-oxazole;3H-pyrazole;4H-pyrazole;2H-pyrrole;3H-pyrrole;1,2,4-thiadiazole;1,2,5-thiadiazole;bis(1,3,4-thiadiazole);1,2-thiazole;1,3-thiazole;thiophene.

Molecular Properties

• Compound Name: cyclopenta-1,3-diene;ethane;furan;2H-imidazole;4H-imidazole;methane;henicosakis(2-methylpropane);1,2,4-oxadiazole;1,2,5-oxadiazole;bis(1,3,4-oxadiazole);1,2-oxazole;1,3-oxazole;3H-pyrazole;4H-pyrazole;2H-pyrrole;3H-pyrrole;1,2,4-thiadiazole;1,2,5-thiadiazole;bis(1,3,4-thiadiazole);1,2-thiazole;1,3-thiazole;thiophene
• PubChem CID: 158022670
• Molecular Formula: C188H408N30O7S7
• Molecular Weight: 3426.00 g/mol
• Exact Mass: 3423.05
• IUPAC Name: cyclopenta-1,3-diene;ethane;furan;2H-imidazole;4H-imidazole;methane;henicosakis(2-methylpropane);1,2,4-oxadiazole;1,2,5-oxadiazole;bis(1,3,4-oxadiazole);1,2-oxazole;1,3-oxazole;3H-pyrazole;4H-pyrazole;2H-pyrrole;3H-pyrrole;1,2,4-thiadiazole;1,2,5-thiadiazole;bis(1,3,4-thiadiazole);1,2-thiazole;1,3-thiazole;thiophene
• SMILES: C.C1=CCC=C1.C1=CCN=C1.C1=CN=CC1.C1=CN=NC1.C1=NC=NC1.C1=NCN=C1.C1=NN=CC1.CC.CC.CC.CC.CC.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)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.c1ccoc1.c1ccsc1.c1cnoc1.c1cnon1.c1cnsc1.c1cnsn1.c1cocn1.c1cscn1.c1ncon1.c1ncsn1.c1nnco1.c1nnco1.c1nncs1.c1nncs1
• InChI: InChI=1S/C5H6.2C4H5N.C4H4O.C4H4S.21C4H10.4C3H4N2.2C3H3NO.2C3H3NS.4C2H2N2O.4C2H2N2S.21C2H6.CH4/c5*1-2-4-5-3-1;21*1-4(2)3;2*1-2-5-3-4-1;2*1-2-4-5-3-1;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*1-3-4-2-5-1;1-3-2-5-4-1;1-2-4-5-3-1;2*1-3-4-2-5-1;1-3-2-5-4-1;1-2-4-5-3-1;21*1-2;/h1-4H,5H2;1,3-4H,2H2;1-3H,4H2;2*1-4H;21*4H,1-3H3;1,3H,2H2;1-2H,3H2;2-3H,1H2;1-2H,3H2;4*1-3H;8*1-2H;21*1-2H3;1H4
• InChIKey: FGFWLTOLAWHYRD-UHFFFAOYSA-N
• XLogP: 70.90
• TPSA: 473.38 Ų
• H-Bond Acceptors: 44
• Heavy Atoms: 232
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3426.00
LogP ≤ 5	70.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;ethane;furan;2H-imidazole;4H-imidazole;methane;henicosakis(2-methylpropane);1,2,4-oxadiazole;1,2,5-oxadiazole;bis(1,3,4-oxadiazole);1,2-oxazole;1,3-oxazole;3H-pyrazole;4H-pyrazole;2H-pyrrole;3H-pyrrole;1,2,4-thiadiazole;1,2,5-thiadiazole;bis(1,3,4-thiadiazole);1,2-thiazole;1,3-thiazole;thiophene?

The IUPAC name of cyclopenta-1,3-diene;ethane;furan;2H-imidazole;4H-imidazole;methane;henicosakis(2-methylpropane);1,2,4-oxadiazole;1,2,5-oxadiazole;bis(1,3,4-oxadiazole);1,2-oxazole;1,3-oxazole;3H-pyrazole;4H-pyrazole;2H-pyrrole;3H-pyrrole;1,2,4-thiadiazole;1,2,5-thiadiazole;bis(1,3,4-thiadiazole);1,2-thiazole;1,3-thiazole;thiophene (CID 158022670) is cyclopenta-1,3-diene;ethane;furan;2H-imidazole;4H-imidazole;methane;henicosakis(2-methylpropane);1,2,4-oxadiazole;1,2,5-oxadiazole;bis(1,3,4-oxadiazole);1,2-oxazole;1,3-oxazole;3H-pyrazole;4H-pyrazole;2H-pyrrole;3H-pyrrole;1,2,4-thiadiazole;1,2,5-thiadiazole;bis(1,3,4-thiadiazole);1,2-thiazole;1,3-thiazole;thiophene.

What is the SMILES notation for cyclopenta-1,3-diene;ethane;furan;2H-imidazole;4H-imidazole;methane;henicosakis(2-methylpropane);1,2,4-oxadiazole;1,2,5-oxadiazole;bis(1,3,4-oxadiazole);1,2-oxazole;1,3-oxazole;3H-pyrazole;4H-pyrazole;2H-pyrrole;3H-pyrrole;1,2,4-thiadiazole;1,2,5-thiadiazole;bis(1,3,4-thiadiazole);1,2-thiazole;1,3-thiazole;thiophene?

The canonical SMILES for cyclopenta-1,3-diene;ethane;furan;2H-imidazole;4H-imidazole;methane;henicosakis(2-methylpropane);1,2,4-oxadiazole;1,2,5-oxadiazole;bis(1,3,4-oxadiazole);1,2-oxazole;1,3-oxazole;3H-pyrazole;4H-pyrazole;2H-pyrrole;3H-pyrrole;1,2,4-thiadiazole;1,2,5-thiadiazole;bis(1,3,4-thiadiazole);1,2-thiazole;1,3-thiazole;thiophene is C.C1=CCC=C1.C1=CCN=C1.C1=CN=CC1.C1=CN=NC1.C1=NC=NC1.C1=NCN=C1.C1=NN=CC1.CC.CC.CC.CC.CC.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)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.c1ccoc1.c1ccsc1.c1cnoc1.c1cnon1.c1cnsc1.c1cnsn1.c1cocn1.c1cscn1.c1ncon1.c1ncsn1.c1nnco1.c1nnco1.c1nncs1.c1nncs1.

What is the InChIKey of cyclopenta-1,3-diene;ethane;furan;2H-imidazole;4H-imidazole;methane;henicosakis(2-methylpropane);1,2,4-oxadiazole;1,2,5-oxadiazole;bis(1,3,4-oxadiazole);1,2-oxazole;1,3-oxazole;3H-pyrazole;4H-pyrazole;2H-pyrrole;3H-pyrrole;1,2,4-thiadiazole;1,2,5-thiadiazole;bis(1,3,4-thiadiazole);1,2-thiazole;1,3-thiazole;thiophene?

The InChIKey is FGFWLTOLAWHYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6.2C4H5N.C4H4O.C4H4S.21C4H10.4C3H4N2.2C3H3NO.2C3H3NS.4C2H2N2O.4C2H2N2S.21C2H6.CH4/c5*1-2-4-5-3-1;21*1-4(2)3;2*1-2-5-3-4-1;2*1-2-4-5-3-1;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*1-3-4-2-5-1;1-3-2-5-4-1;1-2-4-5-3-1;2*1-3-4-2-5-1;1-3-2-5-4-1;1-2-4-5-3-1;21*1-2;/h1-4H,5H2;1,3-4H,2H2;1-3H,4H2;2*1-4H;21*4H,1-3H3;1,3H,2H2;1-2H,3H2;2-3H,1H2;1-2H,3H2;4*1-3H;8*1-2H;21*1-2H3;1H4.

What are the key properties of cyclopenta-1,3-diene;ethane;furan;2H-imidazole;4H-imidazole;methane;henicosakis(2-methylpropane);1,2,4-oxadiazole;1,2,5-oxadiazole;bis(1,3,4-oxadiazole);1,2-oxazole;1,3-oxazole;3H-pyrazole;4H-pyrazole;2H-pyrrole;3H-pyrrole;1,2,4-thiadiazole;1,2,5-thiadiazole;bis(1,3,4-thiadiazole);1,2-thiazole;1,3-thiazole;thiophene?

cyclopenta-1,3-diene;ethane;furan;2H-imidazole;4H-imidazole;methane;henicosakis(2-methylpropane);1,2,4-oxadiazole;1,2,5-oxadiazole;bis(1,3,4-oxadiazole);1,2-oxazole;1,3-oxazole;3H-pyrazole;4H-pyrazole;2H-pyrrole;3H-pyrrole;1,2,4-thiadiazole;1,2,5-thiadiazole;bis(1,3,4-thiadiazole);1,2-thiazole;1,3-thiazole;thiophene has a molecular weight of 3426.00 g/mol, XLogP of 70.90, 0 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopenta-1,3-diene;ethane;furan;2H-imidazole;4H-imidazole;methane;henicosakis(2-methylpropane);1,2,4-oxadiazole;1,2,5-oxadiazole;bis(1,3,4-oxadiazole);1,2-oxazole;1,3-oxazole;3H-pyrazole;4H-pyrazole;2H-pyrrole;3H-pyrrole;1,2,4-thiadiazole;1,2,5-thiadiazole;bis(1,3,4-thiadiazole);1,2-thiazole;1,3-thiazole;thiophene is sourced from PubChem (CID 158022670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).