ethane;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene

C65H116N6O5S4 — CID 159895044

IUPACethane;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccco1.Cc1cccs1.Cc1ccno1.Cc1ccoc1.Cc1ccon1.Cc1ccsc1.Cc1ccsn1.Cc1cnoc1.Cc1cnsc1.Cn1cccc1
InChIInChI=1S/C5H7N.2C5H6O.2C5H6S.3C4H5NO.2C4H5NS.10C2H6/c1-6-4-2-3-5-6;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;10*1-2/h2-5H,1H3;4*2-4H,1H3;5*2-3H,1H3;10*1-2H3
InChIKeyNVFSZYBLDFDABH-UHFFFAOYSA-N
MW1189.95 g/mol
LogP24.43
Rot. Bonds

About ethane;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene

ethane;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene (PubChem CID 159895044) has the molecular formula C65H116N6O5S4 and a molecular weight of 1189.95 g/mol. Its IUPAC name is ethane;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene.

Molecular Properties

Compound Nameethane;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene
PubChem CID159895044
Molecular FormulaC65H116N6O5S4
Molecular Weight1189.95 g/mol
Exact Mass1188.79
IUPAC Nameethane;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccco1.Cc1cccs1.Cc1ccno1.Cc1ccoc1.Cc1ccon1.Cc1ccsc1.Cc1ccsn1.Cc1cnoc1.Cc1cnsc1.Cn1cccc1
InChIInChI=1S/C5H7N.2C5H6O.2C5H6S.3C4H5NO.2C4H5NS.10C2H6/c1-6-4-2-3-5-6;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;10*1-2/h2-5H,1H3;4*2-4H,1H3;5*2-3H,1H3;10*1-2H3
InChIKeyNVFSZYBLDFDABH-UHFFFAOYSA-N
XLogP24.43
TPSA135.08 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001189.95
LogP ≤ 524.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze ethane;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene?
The IUPAC name of ethane;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene (CID 159895044) is ethane;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene.
What is the SMILES notation for ethane;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene?
The canonical SMILES for ethane;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccco1.Cc1cccs1.Cc1ccno1.Cc1ccoc1.Cc1ccon1.Cc1ccsc1.Cc1ccsn1.Cc1cnoc1.Cc1cnsc1.Cn1cccc1.
What is the InChIKey of ethane;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene?
The InChIKey is NVFSZYBLDFDABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.2C5H6O.2C5H6S.3C4H5NO.2C4H5NS.10C2H6/c1-6-4-2-3-5-6;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;10*1-2/h2-5H,1H3;4*2-4H,1H3;5*2-3H,1H3;10*1-2H3.
What are the key properties of ethane;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene?
ethane;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene has a molecular weight of 1189.95 g/mol, XLogP of 24.43, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene is sourced from PubChem (CID 159895044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).