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

C72H128N8O4S5 — CID 159494571

IUPAC1,2-dimethylpyrrole;1,3-dimethylpyrrole;4,5-dimethylthiadiazole;ethane;2-methylfuran;3-methylfuran;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cccn1C.Cc1ccco1.Cc1cccs1.Cc1ccn(C)c1.Cc1ccno1.Cc1ccoc1.Cc1ccsc1.Cc1cncs1.Cc1cnoc1.Cc1cscn1.Cc1nnsc1C
InChIInChI=1S/2C6H9N.2C5H6O.2C5H6S.C4H6N2S.2C4H5NO.2C4H5NS.10C2H6/c1-6-3-4-7(2)5-6;1-6-4-3-5-7(6)2;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;1-3-4(2)7-6-5-3;1-4-2-5-6-3-4;1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;10*1-2/h2*3-5H,1-2H3;4*2-4H,1H3;1-2H3;4*2-3H,1H3;10*1-2H3
InChIKeyLYPVVKNQZOQHFQ-UHFFFAOYSA-N
MW1330.20 g/mol
LogP26.24
Rot. Bonds

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

1,2-dimethylpyrrole;1,3-dimethylpyrrole;4,5-dimethylthiadiazole;ethane;2-methylfuran;3-methylfuran;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene (PubChem CID 159494571) has the molecular formula C72H128N8O4S5 and a molecular weight of 1330.20 g/mol. Its IUPAC name is 1,2-dimethylpyrrole;1,3-dimethylpyrrole;4,5-dimethylthiadiazole;ethane;2-methylfuran;3-methylfuran;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene.

Molecular Properties

Compound Name1,2-dimethylpyrrole;1,3-dimethylpyrrole;4,5-dimethylthiadiazole;ethane;2-methylfuran;3-methylfuran;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
PubChem CID159494571
Molecular FormulaC72H128N8O4S5
Molecular Weight1330.20 g/mol
Exact Mass1328.87
IUPAC Name1,2-dimethylpyrrole;1,3-dimethylpyrrole;4,5-dimethylthiadiazole;ethane;2-methylfuran;3-methylfuran;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cccn1C.Cc1ccco1.Cc1cccs1.Cc1ccn(C)c1.Cc1ccno1.Cc1ccoc1.Cc1ccsc1.Cc1cncs1.Cc1cnoc1.Cc1cscn1.Cc1nnsc1C
InChIInChI=1S/2C6H9N.2C5H6O.2C5H6S.C4H6N2S.2C4H5NO.2C4H5NS.10C2H6/c1-6-3-4-7(2)5-6;1-6-4-3-5-7(6)2;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;1-3-4(2)7-6-5-3;1-4-2-5-6-3-4;1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;10*1-2/h2*3-5H,1-2H3;4*2-4H,1H3;1-2H3;4*2-3H,1H3;10*1-2H3
InChIKeyLYPVVKNQZOQHFQ-UHFFFAOYSA-N
XLogP26.24
TPSA139.76 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001330.20
LogP ≤ 526.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 1,2-dimethylpyrrole;1,3-dimethylpyrrole;4,5-dimethylthiadiazole;ethane;2-methylfuran;3-methylfuran;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene 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
1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;2-methylfuran;3-methylfuran;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;3,4,5-trimethyl-1,2-oxazole
CID 157212422
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
Ethane;2-methylfuran;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;bis(1-methylpyrazole);2-methylpyridine;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene;1-methyl-1,2,4-triazole
CID 157271870
CID 157371056
CID 157371056
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
2,3-di(propan-2-yl)furan;4,5-di(propan-2-yl)-2H-pyrrole;3,4-di(propan-2-yl)-1,2-thiazole;4,5-di(propan-2-yl)-1,3-thiazole;2,3-di(propan-2-yl)thiophene;bis(1-methyl-3,4-di(propan-2-yl)pyrazole);bis(1-methyl-3,5-di(propan-2-yl)pyrazole);1-methyl-4,5-di(propan-2-yl)pyrazole;2-methyl-4,5-di(propan-2-yl)-1,3-thiazole
CID 157522959
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
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-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
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;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene
CID 157878642

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylpyrrole;1,3-dimethylpyrrole;4,5-dimethylthiadiazole;ethane;2-methylfuran;3-methylfuran;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene?
The IUPAC name of 1,2-dimethylpyrrole;1,3-dimethylpyrrole;4,5-dimethylthiadiazole;ethane;2-methylfuran;3-methylfuran;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene (CID 159494571) is 1,2-dimethylpyrrole;1,3-dimethylpyrrole;4,5-dimethylthiadiazole;ethane;2-methylfuran;3-methylfuran;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene.
What is the SMILES notation for 1,2-dimethylpyrrole;1,3-dimethylpyrrole;4,5-dimethylthiadiazole;ethane;2-methylfuran;3-methylfuran;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene?
The canonical SMILES for 1,2-dimethylpyrrole;1,3-dimethylpyrrole;4,5-dimethylthiadiazole;ethane;2-methylfuran;3-methylfuran;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cccn1C.Cc1ccco1.Cc1cccs1.Cc1ccn(C)c1.Cc1ccno1.Cc1ccoc1.Cc1ccsc1.Cc1cncs1.Cc1cnoc1.Cc1cscn1.Cc1nnsc1C.
What is the InChIKey of 1,2-dimethylpyrrole;1,3-dimethylpyrrole;4,5-dimethylthiadiazole;ethane;2-methylfuran;3-methylfuran;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene?
The InChIKey is LYPVVKNQZOQHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H9N.2C5H6O.2C5H6S.C4H6N2S.2C4H5NO.2C4H5NS.10C2H6/c1-6-3-4-7(2)5-6;1-6-4-3-5-7(6)2;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;1-3-4(2)7-6-5-3;1-4-2-5-6-3-4;1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;10*1-2/h2*3-5H,1-2H3;4*2-4H,1H3;1-2H3;4*2-3H,1H3;10*1-2H3.
What are the key properties of 1,2-dimethylpyrrole;1,3-dimethylpyrrole;4,5-dimethylthiadiazole;ethane;2-methylfuran;3-methylfuran;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene?
1,2-dimethylpyrrole;1,3-dimethylpyrrole;4,5-dimethylthiadiazole;ethane;2-methylfuran;3-methylfuran;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene has a molecular weight of 1330.20 g/mol, XLogP of 26.24, 0 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylpyrrole;1,3-dimethylpyrrole;4,5-dimethylthiadiazole;ethane;2-methylfuran;3-methylfuran;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene is sourced from PubChem (CID 159494571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).