ethane;furan;bis(1H-imidazole);1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene

C73H157N11O3S3 — CID 160586986

IUPACethane;furan;bis(1H-imidazole);1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1c[nH]cn1.c1c[nH]cn1.c1cc[nH]c1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1
InChIInChI=1S/C4H5N.C4H4O.C4H4S.3C3H4N2.2C3H3NO.2C3H3NS.20C2H6/c3*1-2-4-5-3-1;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;1-2-5-3-4-1;1-2-4-5-3-1;20*1-2/h1-5H;2*1-4H;3*1-3H,(H,4,5);4*1-3H;20*1-2H3
InChIKeyRCNCYEKLNKRAAV-UHFFFAOYSA-N
MW1333.33 g/mol
LogP29.43
Rot. Bonds

About ethane;furan;bis(1H-imidazole);1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene

ethane;furan;bis(1H-imidazole);1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene (PubChem CID 160586986) has the molecular formula C73H157N11O3S3 and a molecular weight of 1333.33 g/mol. Its IUPAC name is ethane;furan;bis(1H-imidazole);1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene.

Molecular Properties

Compound Nameethane;furan;bis(1H-imidazole);1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
PubChem CID160586986
Molecular FormulaC73H157N11O3S3
Molecular Weight1333.33 g/mol
Exact Mass1332.16
IUPAC Nameethane;furan;bis(1H-imidazole);1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1c[nH]cn1.c1c[nH]cn1.c1cc[nH]c1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1
InChIInChI=1S/C4H5N.C4H4O.C4H4S.3C3H4N2.2C3H3NO.2C3H3NS.20C2H6/c3*1-2-4-5-3-1;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;1-2-5-3-4-1;1-2-4-5-3-1;20*1-2/h1-5H;2*1-4H;3*1-3H,(H,4,5);4*1-3H;20*1-2H3
InChIKeyRCNCYEKLNKRAAV-UHFFFAOYSA-N
XLogP29.43
TPSA192.81 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001333.33
LogP ≤ 529.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

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Related Compounds

furan;1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene
CID 68629579
furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
CID 69493878
2-[1-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-1-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-1-(2H-triazol-4-yl)-1,3-thiazol-4-yl]-1,3-oxazole
CID 140979130
2-[1-(1,2-oxazol-3-yl)-4-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)-1,2,4-triazolidin-3-yl]-1,3-oxazole
CID 141035140
2-[1-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-1-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-4-yl]-1,3-oxazole
CID 141035146
2-[1-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-1-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)-1-(2H-triazol-4-yl)-3H-thiadiazol-5-yl]-1,3-oxazole
CID 141192975
2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;3-methylfuran;2-methyl-1H-imidazole;1-methylpyrrole;3-methylthiophene;1-methyl-1,2,4-triazole;bis(5-methyl-1H-1,2,4-triazole)
CID 157054085
3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyrazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole
CID 157083907
ethane;furan;1H-imidazole;methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole
CID 157084765
bis(4,5-dimethyloxadiazole);1,3-dimethylpyrrole;4,5-dimethyl-2H-triazole;ethane;methane;2-methylfuran;3-methylfuran;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;5-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
CID 157089703
1,2-dimethylimidazole;1,5-dimethylimidazole;bis(4,5-dimethyl-1H-imidazole);bis(3,4-dimethyl-1,2-oxazole);bis(4,5-dimethyl-1,3-oxazole);bis(1,5-dimethylpyrazole);bis(4,5-dimethyl-1H-pyrazole);1,5-dimethyltetrazole;bis(3,4-dimethyl-1,2-thiazole);bis(4,5-dimethyl-1,3-thiazole);1,5-dimethyltriazole;1,5-dimethyl-1,2,4-triazole;3,4-dimethyl-1,2,4-triazole;ethane
CID 157103557
furan;bis(1H-imidazole);1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;2H-pyrrole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole
CID 157113155

Frequently Asked Questions

What is the IUPAC name of ethane;furan;bis(1H-imidazole);1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene?
The IUPAC name of ethane;furan;bis(1H-imidazole);1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene (CID 160586986) is ethane;furan;bis(1H-imidazole);1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene.
What is the SMILES notation for ethane;furan;bis(1H-imidazole);1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene?
The canonical SMILES for ethane;furan;bis(1H-imidazole);1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1c[nH]cn1.c1c[nH]cn1.c1cc[nH]c1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.
What is the InChIKey of ethane;furan;bis(1H-imidazole);1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene?
The InChIKey is RCNCYEKLNKRAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.C4H4O.C4H4S.3C3H4N2.2C3H3NO.2C3H3NS.20C2H6/c3*1-2-4-5-3-1;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;1-2-5-3-4-1;1-2-4-5-3-1;20*1-2/h1-5H;2*1-4H;3*1-3H,(H,4,5);4*1-3H;20*1-2H3.
What are the key properties of ethane;furan;bis(1H-imidazole);1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene?
ethane;furan;bis(1H-imidazole);1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene has a molecular weight of 1333.33 g/mol, XLogP of 29.43, 0 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;furan;bis(1H-imidazole);1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene is sourced from PubChem (CID 160586986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).