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

C59H104N6O3S5 — CID 158633664

IUPACethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;2-methylpyrazine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccco1.Cc1cccs1.Cc1ccoc1.Cc1ccsc1.Cc1cnccn1.Cc1cncs1.Cc1cscn1.Cc1ncco1.Cc1nccs1
InChIInChI=1S/C5H6N2.2C5H6O.2C5H6S.C4H5NO.3C4H5NS.9C2H6/c1-5-4-6-2-3-7-5;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;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;9*1-2/h2-4H,1H3;4*2-4H,1H3;4*2-3H,1H3;9*1-2H3
InChIKeyHZMPUGWOXNMQOZ-UHFFFAOYSA-N
MW1105.85 g/mol
LogP22.65
Rot. Bonds

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

ethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;2-methylpyrazine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene (PubChem CID 158633664) has the molecular formula C59H104N6O3S5 and a molecular weight of 1105.85 g/mol. Its IUPAC name is ethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;2-methylpyrazine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene.

Molecular Properties

Compound Nameethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;2-methylpyrazine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
PubChem CID158633664
Molecular FormulaC59H104N6O3S5
Molecular Weight1105.85 g/mol
Exact Mass1104.68
IUPAC Nameethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;2-methylpyrazine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccco1.Cc1cccs1.Cc1ccoc1.Cc1ccsc1.Cc1cnccn1.Cc1cncs1.Cc1cscn1.Cc1ncco1.Cc1nccs1
InChIInChI=1S/C5H6N2.2C5H6O.2C5H6S.C4H5NO.3C4H5NS.9C2H6/c1-5-4-6-2-3-7-5;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;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;9*1-2/h2-4H,1H3;4*2-4H,1H3;4*2-3H,1H3;9*1-2H3
InChIKeyHZMPUGWOXNMQOZ-UHFFFAOYSA-N
XLogP22.65
TPSA116.76 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001105.85
LogP ≤ 522.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze ethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;2-methylpyrazine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-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;2-methyl-1,3-oxazole;2-methylpyrazine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene?
The IUPAC name of ethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;2-methylpyrazine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene (CID 158633664) is ethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;2-methylpyrazine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene.
What is the SMILES notation for ethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;2-methylpyrazine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene?
The canonical SMILES for ethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;2-methylpyrazine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene is CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccco1.Cc1cccs1.Cc1ccoc1.Cc1ccsc1.Cc1cnccn1.Cc1cncs1.Cc1cscn1.Cc1ncco1.Cc1nccs1.
What is the InChIKey of ethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;2-methylpyrazine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene?
The InChIKey is HZMPUGWOXNMQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2.2C5H6O.2C5H6S.C4H5NO.3C4H5NS.9C2H6/c1-5-4-6-2-3-7-5;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;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;9*1-2/h2-4H,1H3;4*2-4H,1H3;4*2-3H,1H3;9*1-2H3.
What are the key properties of ethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;2-methylpyrazine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene?
ethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;2-methylpyrazine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene has a molecular weight of 1105.85 g/mol, XLogP of 22.65, 0 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;2-methylpyrazine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene is sourced from PubChem (CID 158633664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).