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

C64H111N5O4S6 — CID 157114063

IUPAC2,5-dimethylthiophene;ethane;2-methylfuran;3-methylfuran;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;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.Cc1ccc(C)s1.Cc1ccco1.Cc1cccs1.Cc1ccoc1.Cc1ccsc1.Cc1cnco1.Cc1cncs1.Cc1cocn1.Cc1cscn1.Cc1nccs1
InChIInChI=1S/C6H8S.2C5H6O.2C5H6S.2C4H5NO.3C4H5NS.9C2H6/c1-5-3-4-6(2)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;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;9*1-2/h3-4H,1-2H3;4*2-4H,1H3;5*2-3H,1H3;9*1-2H3
InChIKeyAHELGNKAJVDCCV-UHFFFAOYSA-N
MW1207.02 g/mol
LogP25.21
Rot. Bonds

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

2,5-dimethylthiophene;ethane;2-methylfuran;3-methylfuran;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene (PubChem CID 157114063) has the molecular formula C64H111N5O4S6 and a molecular weight of 1207.02 g/mol. Its IUPAC name is 2,5-dimethylthiophene;ethane;2-methylfuran;3-methylfuran;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene.

Molecular Properties

Compound Name2,5-dimethylthiophene;ethane;2-methylfuran;3-methylfuran;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
PubChem CID157114063
Molecular FormulaC64H111N5O4S6
Molecular Weight1207.02 g/mol
Exact Mass1205.70
IUPAC Name2,5-dimethylthiophene;ethane;2-methylfuran;3-methylfuran;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;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.Cc1ccc(C)s1.Cc1ccco1.Cc1cccs1.Cc1ccoc1.Cc1ccsc1.Cc1cnco1.Cc1cncs1.Cc1cocn1.Cc1cscn1.Cc1nccs1
InChIInChI=1S/C6H8S.2C5H6O.2C5H6S.2C4H5NO.3C4H5NS.9C2H6/c1-5-3-4-6(2)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;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;9*1-2/h3-4H,1-2H3;4*2-4H,1H3;5*2-3H,1H3;9*1-2H3
InChIKeyAHELGNKAJVDCCV-UHFFFAOYSA-N
XLogP25.21
TPSA117.01 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001207.02
LogP ≤ 525.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2,5-dimethylthiophene;ethane;2-methylfuran;3-methylfuran;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;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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Related Compounds

Bis(2,3,4-trimethylfuran);bis(2,3,5-trimethylfuran);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,3,4-trimethylthiophene);bis(2,3,5-trimethylthiophene)
CID 157238555
ethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene
CID 157441369
ethane;methane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;toluene
CID 157532559
ethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
CID 157532914
1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);bis(3-propan-2-ylfuran);2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;3-propan-2-yl-4H-pyrazole;3-propan-2-yl-2H-pyrrole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);bis(3-propan-2-ylthiophene)
CID 157574913
2-Tert-butyl-5-methylthiophene;2,4-dimethylthiophene;2-methylfuran;3-methylfuran;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;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole
CID 157751233
bis(2-propan-2-ylfuran);tris(2-propan-2-yl-1,3-oxazole);4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-2H-pyrrole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;1-propan-2-yltriazole
CID 157797360
Ethane;methane;1-methylcyclopenta-1,3-diene;bis(2-methylcyclopenta-1,3-diene);2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methylthiophene;3-methylthiophene
CID 157838066
2-Methylfuran;3-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;bis(4-methyl-1,2-oxazole);5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole
CID 157871115
ethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
CID 157878270
ethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;toluene
CID 157879397
3-methylbutylsulfanylbenzene;2-[(E)-4-methylpent-1-enyl]furan;2-[(E)-4-methylpent-1-enyl]-1,3-oxazole;2-[(E)-4-methylpent-1-enyl]-1,3-thiazole;2-[(E)-4-methylpent-1-enyl]thiophene;2-(4-methylpentyl)furan;2-(4-methylpentyl)thiophene;2-(4-methylpent-1-ynyl)furan;2-(4-methylpent-1-ynyl)-1,3-oxazole;2-(4-methylpent-1-ynyl)-1,3-thiazole;2-(4-methylpent-1-ynyl)thiophene;dodecakis(2-methylpropane);2-methylpropylsulfanylmethylbenzene
CID 158049887

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylthiophene;ethane;2-methylfuran;3-methylfuran;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene?
The IUPAC name of 2,5-dimethylthiophene;ethane;2-methylfuran;3-methylfuran;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene (CID 157114063) is 2,5-dimethylthiophene;ethane;2-methylfuran;3-methylfuran;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;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 2,5-dimethylthiophene;ethane;2-methylfuran;3-methylfuran;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene?
The canonical SMILES for 2,5-dimethylthiophene;ethane;2-methylfuran;3-methylfuran;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;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.Cc1ccc(C)s1.Cc1ccco1.Cc1cccs1.Cc1ccoc1.Cc1ccsc1.Cc1cnco1.Cc1cncs1.Cc1cocn1.Cc1cscn1.Cc1nccs1.
What is the InChIKey of 2,5-dimethylthiophene;ethane;2-methylfuran;3-methylfuran;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene?
The InChIKey is AHELGNKAJVDCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8S.2C5H6O.2C5H6S.2C4H5NO.3C4H5NS.9C2H6/c1-5-3-4-6(2)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;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;9*1-2/h3-4H,1-2H3;4*2-4H,1H3;5*2-3H,1H3;9*1-2H3.
What are the key properties of 2,5-dimethylthiophene;ethane;2-methylfuran;3-methylfuran;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene?
2,5-dimethylthiophene;ethane;2-methylfuran;3-methylfuran;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene has a molecular weight of 1207.02 g/mol, XLogP of 25.21, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylthiophene;ethane;2-methylfuran;3-methylfuran;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene is sourced from PubChem (CID 157114063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).