bis(2,3-dimethylfuran);3,4-dimethylpyridine;bis(2,3-dimethylthiophene);ethane;bis(3,4,5-trimethyl-1,2-oxazole);bis(3,4,5-trimethyl-1,2-thiazole)

C65H107N5O4S4 — CID 158237445

IUPACbis(2,3-dimethylfuran);3,4-dimethylpyridine;bis(2,3-dimethylthiophene);ethane;bis(3,4,5-trimethyl-1,2-oxazole);bis(3,4,5-trimethyl-1,2-thiazole)
SMILESCC.CC.CC.CC.CC.Cc1ccncc1C.Cc1ccoc1C.Cc1ccoc1C.Cc1ccsc1C.Cc1ccsc1C.Cc1noc(C)c1C.Cc1noc(C)c1C.Cc1nsc(C)c1C.Cc1nsc(C)c1C
InChIInChI=1S/C7H9N.2C6H9NO.2C6H9NS.2C6H8O.2C6H8S.5C2H6/c1-6-3-4-8-5-7(6)2;4*1-4-5(2)7-8-6(4)3;4*1-5-3-4-7-6(5)2;5*1-2/h3-5H,1-2H3;4*1-3H3;4*3-4H,1-2H3;5*1-2H3
InChIKeyGFDFRJSBUARLNW-UHFFFAOYSA-N
MW1150.87 g/mol
LogP22.69
Rot. Bonds

About bis(2,3-dimethylfuran);3,4-dimethylpyridine;bis(2,3-dimethylthiophene);ethane;bis(3,4,5-trimethyl-1,2-oxazole);bis(3,4,5-trimethyl-1,2-thiazole)

bis(2,3-dimethylfuran);3,4-dimethylpyridine;bis(2,3-dimethylthiophene);ethane;bis(3,4,5-trimethyl-1,2-oxazole);bis(3,4,5-trimethyl-1,2-thiazole) (PubChem CID 158237445) has the molecular formula C65H107N5O4S4 and a molecular weight of 1150.87 g/mol. Its IUPAC name is bis(2,3-dimethylfuran);3,4-dimethylpyridine;bis(2,3-dimethylthiophene);ethane;bis(3,4,5-trimethyl-1,2-oxazole);bis(3,4,5-trimethyl-1,2-thiazole).

Molecular Properties

Compound Namebis(2,3-dimethylfuran);3,4-dimethylpyridine;bis(2,3-dimethylthiophene);ethane;bis(3,4,5-trimethyl-1,2-oxazole);bis(3,4,5-trimethyl-1,2-thiazole)
PubChem CID158237445
Molecular FormulaC65H107N5O4S4
Molecular Weight1150.87 g/mol
Exact Mass1149.72
IUPAC Namebis(2,3-dimethylfuran);3,4-dimethylpyridine;bis(2,3-dimethylthiophene);ethane;bis(3,4,5-trimethyl-1,2-oxazole);bis(3,4,5-trimethyl-1,2-thiazole)
SMILESCC.CC.CC.CC.CC.Cc1ccncc1C.Cc1ccoc1C.Cc1ccoc1C.Cc1ccsc1C.Cc1ccsc1C.Cc1noc(C)c1C.Cc1noc(C)c1C.Cc1nsc(C)c1C.Cc1nsc(C)c1C
InChIInChI=1S/C7H9N.2C6H9NO.2C6H9NS.2C6H8O.2C6H8S.5C2H6/c1-6-3-4-8-5-7(6)2;4*1-4-5(2)7-8-6(4)3;4*1-5-3-4-7-6(5)2;5*1-2/h3-5H,1-2H3;4*1-3H3;4*3-4H,1-2H3;5*1-2H3
InChIKeyGFDFRJSBUARLNW-UHFFFAOYSA-N
XLogP22.69
TPSA117.01 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001150.87
LogP ≤ 522.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze bis(2,3-dimethylfuran);3,4-dimethylpyridine;bis(2,3-dimethylthiophene);ethane;bis(3,4,5-trimethyl-1,2-oxazole);bis(3,4,5-trimethyl-1,2-thiazole) with MolForge

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Related Compounds

2-Methyl-3-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;3-methyl-4-propan-2-ylfuran;3-methyl-4-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;2-methyl-3-propan-2-yl-1,2-oxazol-2-ium;2-methyl-3-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene
CID 157091894
2-Tert-butyl-1-benzothiophene;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene
CID 157217434
1,3-dimethylpyrazole;1,5-dimethylpyrazole;ethane;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene;4-methyl-4H-thiopyran
CID 157267147
1-Methyl-2-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;2-propan-2-ylthiophene
CID 157392525
1,2-Dimethylpyrrole;1,3-dimethylpyrrole;ethane;bis(2-methylfuran);bis(3-methyl-1,2-oxazole);bis(4-methyl-1,2-oxazole);5-methyl-1,2-oxazole;tris(2-methylthiophene)
CID 157465996
ethane;methylcyclohexane;1-methylcyclopenta-1,3-diene;2-methylfuran;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methylpiperidine;2-methylpyridine;3-methylpyridine;5-methyl-3H-pyrrole;2-methylthiophene;3-methylthiophene;toluene
CID 157516756
Ethane;methane;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;3-methyl-1,2-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
CID 157576652
2,4-Dimethylfuran;2,5-dimethylfuran;2,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;methane;1,3-xylene
CID 157577463
2,4-Dimethylthiophene;2,5-dimethylthiophene;2-methylfuran;3-methylfuran;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;2-methyl-4-phenylthiophene;2-methyl-5-phenylthiophene;1-methylpyrrole
CID 157702497
2,4-Dimethylfuran;2,5-dimethylfuran;2,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;methane;1,4-xylene
CID 157753156
bis(2,3-dimethylfuran);2,4-dimethylfuran;2,5-dimethylfuran;3,4-dimethylfuran;bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-1H-pyrrole;bis(2,3-dimethylthiophene);3,4-dimethylthiophene
CID 157852963
Ethane;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene
CID 157881955

Frequently Asked Questions

What is the IUPAC name of bis(2,3-dimethylfuran);3,4-dimethylpyridine;bis(2,3-dimethylthiophene);ethane;bis(3,4,5-trimethyl-1,2-oxazole);bis(3,4,5-trimethyl-1,2-thiazole)?
The IUPAC name of bis(2,3-dimethylfuran);3,4-dimethylpyridine;bis(2,3-dimethylthiophene);ethane;bis(3,4,5-trimethyl-1,2-oxazole);bis(3,4,5-trimethyl-1,2-thiazole) (CID 158237445) is bis(2,3-dimethylfuran);3,4-dimethylpyridine;bis(2,3-dimethylthiophene);ethane;bis(3,4,5-trimethyl-1,2-oxazole);bis(3,4,5-trimethyl-1,2-thiazole).
What is the SMILES notation for bis(2,3-dimethylfuran);3,4-dimethylpyridine;bis(2,3-dimethylthiophene);ethane;bis(3,4,5-trimethyl-1,2-oxazole);bis(3,4,5-trimethyl-1,2-thiazole)?
The canonical SMILES for bis(2,3-dimethylfuran);3,4-dimethylpyridine;bis(2,3-dimethylthiophene);ethane;bis(3,4,5-trimethyl-1,2-oxazole);bis(3,4,5-trimethyl-1,2-thiazole) is CC.CC.CC.CC.CC.Cc1ccncc1C.Cc1ccoc1C.Cc1ccoc1C.Cc1ccsc1C.Cc1ccsc1C.Cc1noc(C)c1C.Cc1noc(C)c1C.Cc1nsc(C)c1C.Cc1nsc(C)c1C.
What is the InChIKey of bis(2,3-dimethylfuran);3,4-dimethylpyridine;bis(2,3-dimethylthiophene);ethane;bis(3,4,5-trimethyl-1,2-oxazole);bis(3,4,5-trimethyl-1,2-thiazole)?
The InChIKey is GFDFRJSBUARLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.2C6H9NO.2C6H9NS.2C6H8O.2C6H8S.5C2H6/c1-6-3-4-8-5-7(6)2;4*1-4-5(2)7-8-6(4)3;4*1-5-3-4-7-6(5)2;5*1-2/h3-5H,1-2H3;4*1-3H3;4*3-4H,1-2H3;5*1-2H3.
What are the key properties of bis(2,3-dimethylfuran);3,4-dimethylpyridine;bis(2,3-dimethylthiophene);ethane;bis(3,4,5-trimethyl-1,2-oxazole);bis(3,4,5-trimethyl-1,2-thiazole)?
bis(2,3-dimethylfuran);3,4-dimethylpyridine;bis(2,3-dimethylthiophene);ethane;bis(3,4,5-trimethyl-1,2-oxazole);bis(3,4,5-trimethyl-1,2-thiazole) has a molecular weight of 1150.87 g/mol, XLogP of 22.69, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dimethylfuran);3,4-dimethylpyridine;bis(2,3-dimethylthiophene);ethane;bis(3,4,5-trimethyl-1,2-oxazole);bis(3,4,5-trimethyl-1,2-thiazole) is sourced from PubChem (CID 158237445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).