methane;2-methylcyclopenta-1,3-diene;2-methylfuran;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-methyl-1H-pyrrole;5-methyl-2H-pyrrole;2-methyl-1,3-thiazole;3-methylthiophene

C41H64N6O3S2 — CID 161055859

IUPACmethane;2-methylcyclopenta-1,3-diene;2-methylfuran;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-methyl-1H-pyrrole;5-methyl-2H-pyrrole;2-methyl-1,3-thiazole;3-methylthiophene
SMILESC.C.C.C.CC1=CCC=C1.CC1=NCC=C1.Cc1ccc[nH]1.Cc1ccco1.Cc1ccsc1.Cc1ncco1.Cc1nccs1.Cc1nnco1
InChIInChI=1S/C6H8.2C5H7N.C5H6O.C5H6S.C4H5NO.C4H5NS.C3H4N2O.4CH4/c1-6-4-2-3-5-6;3*1-5-3-2-4-6-5;1-5-2-3-6-4-5;2*1-4-5-2-3-6-4;1-3-5-4-2-6-3;;;;/h2,4-5H,3H2,1H3;2-3H,4H2,1H3;2-4,6H,1H3;2*2-4H,1H3;2*2-3H,1H3;2H,1H3;4*1H4
InChIKeyUCSUSUONNGIVLI-UHFFFAOYSA-N
MW753.14 g/mol
LogP13.23
Rot. Bonds

About methane;2-methylcyclopenta-1,3-diene;2-methylfuran;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-methyl-1H-pyrrole;5-methyl-2H-pyrrole;2-methyl-1,3-thiazole;3-methylthiophene

methane;2-methylcyclopenta-1,3-diene;2-methylfuran;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-methyl-1H-pyrrole;5-methyl-2H-pyrrole;2-methyl-1,3-thiazole;3-methylthiophene (PubChem CID 161055859) has the molecular formula C41H64N6O3S2 and a molecular weight of 753.14 g/mol. Its IUPAC name is methane;2-methylcyclopenta-1,3-diene;2-methylfuran;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-methyl-1H-pyrrole;5-methyl-2H-pyrrole;2-methyl-1,3-thiazole;3-methylthiophene.

Molecular Properties

Compound Namemethane;2-methylcyclopenta-1,3-diene;2-methylfuran;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-methyl-1H-pyrrole;5-methyl-2H-pyrrole;2-methyl-1,3-thiazole;3-methylthiophene
PubChem CID161055859
Molecular FormulaC41H64N6O3S2
Molecular Weight753.14 g/mol
Exact Mass752.45
IUPAC Namemethane;2-methylcyclopenta-1,3-diene;2-methylfuran;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-methyl-1H-pyrrole;5-methyl-2H-pyrrole;2-methyl-1,3-thiazole;3-methylthiophene
SMILESC.C.C.C.CC1=CCC=C1.CC1=NCC=C1.Cc1ccc[nH]1.Cc1ccco1.Cc1ccsc1.Cc1ncco1.Cc1nccs1.Cc1nnco1
InChIInChI=1S/C6H8.2C5H7N.C5H6O.C5H6S.C4H5NO.C4H5NS.C3H4N2O.4CH4/c1-6-4-2-3-5-6;3*1-5-3-2-4-6-5;1-5-2-3-6-4-5;2*1-4-5-2-3-6-4;1-3-5-4-2-6-3;;;;/h2,4-5H,3H2,1H3;2-3H,4H2,1H3;2-4,6H,1H3;2*2-4H,1H3;2*2-3H,1H3;2H,1H3;4*1H4
InChIKeyUCSUSUONNGIVLI-UHFFFAOYSA-N
XLogP13.23
TPSA119.13 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.14
LogP ≤ 513.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze methane;2-methylcyclopenta-1,3-diene;2-methylfuran;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-methyl-1H-pyrrole;5-methyl-2H-pyrrole;2-methyl-1,3-thiazole;3-methylthiophene with MolForge

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Related Compounds

2-[1-(furan-3-yl)-4-(1,2-oxazol-3-yl)-1-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-1,3-oxazole
CID 140981967
2-[1-(furan-2-yl)-4-(1H-pyrrol-2-yl)-5-(2H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole
CID 141189605
2-[1-(furan-2-yl)-1-pyridin-2-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole
CID 156779601
2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene
CID 157102632
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
2-methylfuran;2-methyl-1,3,4-oxadiazole;5-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3,4-thiadiazole;5-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;bis(5-methyl-1H-1,2,4-triazole)
CID 157121352
ethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene
CID 157362507
2,3-Dimethylfuran;4,5-dimethyl-1,3-oxazole;2,3-dimethylpyridine;4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;1,2-xylene
CID 157401617
bis(5-tert-butyl-2,3-di(propan-2-yl)furan);bis(2-tert-butyl-4,5-di(propan-2-yl)-1,3-oxazole);bis(1-tert-butyl-3,4-di(propan-2-yl)pyrazole);bis(3-tert-butyl-1,5-di(propan-2-yl)pyrazole);bis(5-tert-butyl-2,3-di(propan-2-yl)-1H-pyrrole);bis(2-tert-butyl-4,5-di(propan-2-yl)-1,3-thiazole);bis(5-tert-butyl-2,3-di(propan-2-yl)thiophene)
CID 157438329
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
2-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene
CID 157460024
1-(2,2-dimethylpropyl)cyclopenta-1,3-diene;2-(2,2-dimethylpropyl)furan;4-(2,2-dimethylpropyl)-2H-imidazole;4-(2,2-dimethylpropyl)-2-methyl-5H-1,3-oxazol-5-ide;5-(2,2-dimethylpropyl)-4-methyl-1H-pyrazole;2-(2,2-dimethylpropyl)-6-methylpyridine;2-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-1,3-oxazole;5-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)-2H-pyrrole;4-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-1,3-thiazole;4-(2,2-dimethylpropyl)-5-tritio-2,3-dihydropyrrol-3-ide;hexa-2,4-diyne;uranium;yttrium
CID 157470878

Frequently Asked Questions

What is the IUPAC name of methane;2-methylcyclopenta-1,3-diene;2-methylfuran;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-methyl-1H-pyrrole;5-methyl-2H-pyrrole;2-methyl-1,3-thiazole;3-methylthiophene?
The IUPAC name of methane;2-methylcyclopenta-1,3-diene;2-methylfuran;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-methyl-1H-pyrrole;5-methyl-2H-pyrrole;2-methyl-1,3-thiazole;3-methylthiophene (CID 161055859) is methane;2-methylcyclopenta-1,3-diene;2-methylfuran;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-methyl-1H-pyrrole;5-methyl-2H-pyrrole;2-methyl-1,3-thiazole;3-methylthiophene.
What is the SMILES notation for methane;2-methylcyclopenta-1,3-diene;2-methylfuran;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-methyl-1H-pyrrole;5-methyl-2H-pyrrole;2-methyl-1,3-thiazole;3-methylthiophene?
The canonical SMILES for methane;2-methylcyclopenta-1,3-diene;2-methylfuran;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-methyl-1H-pyrrole;5-methyl-2H-pyrrole;2-methyl-1,3-thiazole;3-methylthiophene is C.C.C.C.CC1=CCC=C1.CC1=NCC=C1.Cc1ccc[nH]1.Cc1ccco1.Cc1ccsc1.Cc1ncco1.Cc1nccs1.Cc1nnco1.
What is the InChIKey of methane;2-methylcyclopenta-1,3-diene;2-methylfuran;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-methyl-1H-pyrrole;5-methyl-2H-pyrrole;2-methyl-1,3-thiazole;3-methylthiophene?
The InChIKey is UCSUSUONNGIVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8.2C5H7N.C5H6O.C5H6S.C4H5NO.C4H5NS.C3H4N2O.4CH4/c1-6-4-2-3-5-6;3*1-5-3-2-4-6-5;1-5-2-3-6-4-5;2*1-4-5-2-3-6-4;1-3-5-4-2-6-3;;;;/h2,4-5H,3H2,1H3;2-3H,4H2,1H3;2-4,6H,1H3;2*2-4H,1H3;2*2-3H,1H3;2H,1H3;4*1H4.
What are the key properties of methane;2-methylcyclopenta-1,3-diene;2-methylfuran;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-methyl-1H-pyrrole;5-methyl-2H-pyrrole;2-methyl-1,3-thiazole;3-methylthiophene?
methane;2-methylcyclopenta-1,3-diene;2-methylfuran;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-methyl-1H-pyrrole;5-methyl-2H-pyrrole;2-methyl-1,3-thiazole;3-methylthiophene has a molecular weight of 753.14 g/mol, XLogP of 13.23, 0 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methylcyclopenta-1,3-diene;2-methylfuran;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-methyl-1H-pyrrole;5-methyl-2H-pyrrole;2-methyl-1,3-thiazole;3-methylthiophene is sourced from PubChem (CID 161055859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).