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

C38H68N4O2S4 — CID 159615918

IUPACethane;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene
SMILESCC.CC.CC.CC.CC.CC.Cc1cccs1.Cc1ccno1.Cc1ccns1.Cc1ccon1.Cc1ccsc1.Cc1cnsc1
InChIInChI=1S/2C5H6S.2C4H5NO.2C4H5NS.6C2H6/c1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-4-2-5-6-3-4;1-4-2-3-5-6-4;6*1-2/h2*2-4H,1H3;4*2-3H,1H3;6*1-2H3
InChIKeyMNHAFHUJHBLHBF-UHFFFAOYSA-N
MW741.26 g/mol
LogP15.14
Rot. Bonds

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

ethane;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene (PubChem CID 159615918) has the molecular formula C38H68N4O2S4 and a molecular weight of 741.26 g/mol. Its IUPAC name is ethane;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene.

Molecular Properties

Compound Nameethane;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene
PubChem CID159615918
Molecular FormulaC38H68N4O2S4
Molecular Weight741.26 g/mol
Exact Mass740.42
IUPAC Nameethane;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene
SMILESCC.CC.CC.CC.CC.CC.Cc1cccs1.Cc1ccno1.Cc1ccns1.Cc1ccon1.Cc1ccsc1.Cc1cnsc1
InChIInChI=1S/2C5H6S.2C4H5NO.2C4H5NS.6C2H6/c1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-4-2-5-6-3-4;1-4-2-3-5-6-4;6*1-2/h2*2-4H,1H3;4*2-3H,1H3;6*1-2H3
InChIKeyMNHAFHUJHBLHBF-UHFFFAOYSA-N
XLogP15.14
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.26
LogP ≤ 515.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

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Related Compounds

3-cyclopropyl-2-methylthiophene;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;2,3-dimethylthiophene;3-isocyano-2-methylthiophene;(E)-N-methoxy-1-(2-methylthiophen-3-yl)methanimine;N-methyl-1-(2-methylthiophen-3-yl)methanimine;2-methyl-3-(trifluoromethyl)thiophene;2,3,4-trimethylthiophene;hydrofluoride
CID 172983729
Ethane;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene
CID 158324267
Bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;2,4-dimethylthiophene;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole
CID 158701777
Bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;5-methyl-1,2-thiazole
CID 159400435
Bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;bis(3,5-dimethyl-1,2-thiazole);4,5-dimethyl-1,2-thiazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;5-methyl-1,2-thiazole
CID 159489212
3,5-Dimethyl-1,2-oxazole;bis(3,5-dimethyl-1,2-thiazole);4,5-dimethyl-1,2-thiazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole
CID 160289122
Ethane;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene
CID 160689828
3-Propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole
CID 167601265

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene?
The IUPAC name of ethane;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene (CID 159615918) is ethane;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene.
What is the SMILES notation for ethane;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene?
The canonical SMILES for ethane;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene is CC.CC.CC.CC.CC.CC.Cc1cccs1.Cc1ccno1.Cc1ccns1.Cc1ccon1.Cc1ccsc1.Cc1cnsc1.
What is the InChIKey of ethane;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene?
The InChIKey is MNHAFHUJHBLHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H6S.2C4H5NO.2C4H5NS.6C2H6/c1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-4-2-5-6-3-4;1-4-2-3-5-6-4;6*1-2/h2*2-4H,1H3;4*2-3H,1H3;6*1-2H3.
What are the key properties of ethane;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene?
ethane;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene has a molecular weight of 741.26 g/mol, XLogP of 15.14, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene is sourced from PubChem (CID 159615918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).