cyclopenta-1,3-diene;furan;1-methylimidazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;2H-pyrrole;3H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene

C42H48N12O3S4 — CID 158394644

IUPACcyclopenta-1,3-diene;furan;1-methylimidazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;2H-pyrrole;3H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene
SMILESC1=CCC=C1.C1=CCN=C1.C1=CN=CC1.C1=NN=CC1.Cn1ccnc1.c1ccoc1.c1ccsc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1nncs1
InChIInChI=1S/C5H6.C4H6N2.2C4H5N.C4H4O.C4H4S.C3H4N2.2C3H3NO.2C3H3NS.C2H2N2S/c1-2-4-5-3-1;1-6-3-2-5-4-6;5*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;1-3-4-2-5-1/h1-4H,5H2;2-4H,1H3;1,3-4H,2H2;1-3H,4H2;2*1-4H;2-3H,1H2;4*1-3H;1-2H
InChIKeyGXJVTKLDBYNCDP-UHFFFAOYSA-N
MW897.20 g/mol
LogP11.17
Rot. Bonds

About cyclopenta-1,3-diene;furan;1-methylimidazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;2H-pyrrole;3H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene

cyclopenta-1,3-diene;furan;1-methylimidazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;2H-pyrrole;3H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene (PubChem CID 158394644) has the molecular formula C42H48N12O3S4 and a molecular weight of 897.20 g/mol. Its IUPAC name is cyclopenta-1,3-diene;furan;1-methylimidazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;2H-pyrrole;3H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene.

Molecular Properties

Compound Namecyclopenta-1,3-diene;furan;1-methylimidazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;2H-pyrrole;3H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene
PubChem CID158394644
Molecular FormulaC42H48N12O3S4
Molecular Weight897.20 g/mol
Exact Mass896.29
IUPAC Namecyclopenta-1,3-diene;furan;1-methylimidazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;2H-pyrrole;3H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene
SMILESC1=CCC=C1.C1=CCN=C1.C1=CN=CC1.C1=NN=CC1.Cn1ccnc1.c1ccoc1.c1ccsc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1nncs1
InChIInChI=1S/C5H6.C4H6N2.2C4H5N.C4H4O.C4H4S.C3H4N2.2C3H3NO.2C3H3NS.C2H2N2S/c1-2-4-5-3-1;1-6-3-2-5-4-6;5*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;1-3-4-2-5-1/h1-4H,5H2;2-4H,1H3;1,3-4H,2H2;1-3H,4H2;2*1-4H;2-3H,1H2;4*1-3H;1-2H
InChIKeyGXJVTKLDBYNCDP-UHFFFAOYSA-N
XLogP11.17
TPSA184.02 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500897.20
LogP ≤ 511.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze cyclopenta-1,3-diene;furan;1-methylimidazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;2H-pyrrole;3H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene with MolForge

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Related Compounds

CID 160508842
CID 160508842
furan;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
CID 158545313
furan;1H-imidazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;3H-1,2,4-triazole
CID 158352593
furan;9-methylcarbazole;tris(1,2-oxazole);tris(1,3-oxazole);1,2-thiazole;bis(1,3-thiazole);thiophene;1,3-xylene
CID 167684793
benzene;furan;1H-imidazole;1-methylpyrrole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyrimidine;1H-pyrrole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole
CID 158407514
furan;heptakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3,4-thiadiazole;1,3-thiazole
CID 159207304
1,2-oxazole;1,3-thiazole;thiophene
CID 164873410
1H-imidazole;1,2-oxazole;1,3-oxazole;propane;pyridine;1,3-thiazole;thiophene
CID 158040610
furan;1H-imidazole;1,8-naphthyridine;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
CID 157308323
3-tert-butyl-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;dodecakis(2,2-dimethylpropane);furan;methane;1-methylimidazole;2-methylpropane;1-methylpyrrole;1-methyl-1,2,4-triazole;bis(4-methyl-1,2,4-triazole);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene
CID 167582207
4H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,2,4-triazine
CID 165053975
benzene;1H-benzimidazole;1-benzofuran;2-benzofuran;1,3-benzothiazole;1-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;cyclopenta-1,3-diene;5,7-dihydro-4H-purine;furan;4H-imidazole;1H-indazole;bis(2H-indene);1H-indole;1,2-oxazole;1,3-oxazole;pyrazine;3H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;triazine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole
CID 158674829

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;furan;1-methylimidazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;2H-pyrrole;3H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene?
The IUPAC name of cyclopenta-1,3-diene;furan;1-methylimidazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;2H-pyrrole;3H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene (CID 158394644) is cyclopenta-1,3-diene;furan;1-methylimidazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;2H-pyrrole;3H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene.
What is the SMILES notation for cyclopenta-1,3-diene;furan;1-methylimidazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;2H-pyrrole;3H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene?
The canonical SMILES for cyclopenta-1,3-diene;furan;1-methylimidazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;2H-pyrrole;3H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene is C1=CCC=C1.C1=CCN=C1.C1=CN=CC1.C1=NN=CC1.Cn1ccnc1.c1ccoc1.c1ccsc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1nncs1.
What is the InChIKey of cyclopenta-1,3-diene;furan;1-methylimidazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;2H-pyrrole;3H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene?
The InChIKey is GXJVTKLDBYNCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6.C4H6N2.2C4H5N.C4H4O.C4H4S.C3H4N2.2C3H3NO.2C3H3NS.C2H2N2S/c1-2-4-5-3-1;1-6-3-2-5-4-6;5*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;1-3-4-2-5-1/h1-4H,5H2;2-4H,1H3;1,3-4H,2H2;1-3H,4H2;2*1-4H;2-3H,1H2;4*1-3H;1-2H.
What are the key properties of cyclopenta-1,3-diene;furan;1-methylimidazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;2H-pyrrole;3H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene?
cyclopenta-1,3-diene;furan;1-methylimidazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;2H-pyrrole;3H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene has a molecular weight of 897.20 g/mol, XLogP of 11.17, 0 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;furan;1-methylimidazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;2H-pyrrole;3H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene is sourced from PubChem (CID 158394644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).