3-ethyl-4-methoxythiophene;3-ethylthiophene;methane;3-methylfuran;1-methylimidazole;4-methyl-1,3-oxazole;4-methyl-1,3-thiazole;3-methylthiophene;1H-pyrrole;thiophene

C46H67N5O3S5 — CID 157157462

IUPAC3-ethyl-4-methoxythiophene;3-ethylthiophene;methane;3-methylfuran;1-methylimidazole;4-methyl-1,3-oxazole;4-methyl-1,3-thiazole;3-methylthiophene;1H-pyrrole;thiophene
SMILESC.C.C.CCc1ccsc1.CCc1cscc1OC.Cc1ccoc1.Cc1ccsc1.Cc1cocn1.Cc1cscn1.Cn1ccnc1.c1cc[nH]c1.c1ccsc1
InChIInChI=1S/C7H10OS.C6H8S.C5H6O.C5H6S.C4H6N2.C4H5NO.C4H5NS.C4H5N.C4H4S.3CH4/c1-3-6-4-9-5-7(6)8-2;1-2-6-3-4-7-5-6;2*1-5-2-3-6-4-5;1-6-3-2-5-4-6;2*1-4-2-6-3-5-4;2*1-2-4-5-3-1;;;/h4-5H,3H2,1-2H3;3-5H,2H2,1H3;3*2-4H,1H3;2*2-3H,1H3;1-5H;1-4H;3*1H4
InChIKeyALZCPKNCMSOTBK-UHFFFAOYSA-N
MW898.41 g/mol
LogP15.80
Rot. Bonds3

About 3-ethyl-4-methoxythiophene;3-ethylthiophene;methane;3-methylfuran;1-methylimidazole;4-methyl-1,3-oxazole;4-methyl-1,3-thiazole;3-methylthiophene;1H-pyrrole;thiophene

3-ethyl-4-methoxythiophene;3-ethylthiophene;methane;3-methylfuran;1-methylimidazole;4-methyl-1,3-oxazole;4-methyl-1,3-thiazole;3-methylthiophene;1H-pyrrole;thiophene (PubChem CID 157157462) has the molecular formula C46H67N5O3S5 and a molecular weight of 898.41 g/mol. Its IUPAC name is 3-ethyl-4-methoxythiophene;3-ethylthiophene;methane;3-methylfuran;1-methylimidazole;4-methyl-1,3-oxazole;4-methyl-1,3-thiazole;3-methylthiophene;1H-pyrrole;thiophene.

Molecular Properties

Compound Name3-ethyl-4-methoxythiophene;3-ethylthiophene;methane;3-methylfuran;1-methylimidazole;4-methyl-1,3-oxazole;4-methyl-1,3-thiazole;3-methylthiophene;1H-pyrrole;thiophene
PubChem CID157157462
Molecular FormulaC46H67N5O3S5
Molecular Weight898.41 g/mol
Exact Mass897.38
IUPAC Name3-ethyl-4-methoxythiophene;3-ethylthiophene;methane;3-methylfuran;1-methylimidazole;4-methyl-1,3-oxazole;4-methyl-1,3-thiazole;3-methylthiophene;1H-pyrrole;thiophene
SMILESC.C.C.CCc1ccsc1.CCc1cscc1OC.Cc1ccoc1.Cc1ccsc1.Cc1cocn1.Cc1cscn1.Cn1ccnc1.c1cc[nH]c1.c1ccsc1
InChIInChI=1S/C7H10OS.C6H8S.C5H6O.C5H6S.C4H6N2.C4H5NO.C4H5NS.C4H5N.C4H4S.3CH4/c1-3-6-4-9-5-7(6)8-2;1-2-6-3-4-7-5-6;2*1-5-2-3-6-4-5;1-6-3-2-5-4-6;2*1-4-2-6-3-5-4;2*1-2-4-5-3-1;;;/h4-5H,3H2,1-2H3;3-5H,2H2,1H3;3*2-4H,1H3;2*2-3H,1H3;1-5H;1-4H;3*1H4
InChIKeyALZCPKNCMSOTBK-UHFFFAOYSA-N
XLogP15.80
TPSA94.90 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500898.41
LogP ≤ 515.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 3-ethyl-4-methoxythiophene;3-ethylthiophene;methane;3-methylfuran;1-methylimidazole;4-methyl-1,3-oxazole;4-methyl-1,3-thiazole;3-methylthiophene;1H-pyrrole;thiophene with MolForge

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Related Compounds

2-[1-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-4-yl]-1,3-oxazole
CID 141107824
1,2-Dimethylimidazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;2-methylthiophene
CID 157063946
Methane;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;1,2,4-trimethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;2,3,5-trimethylthiophene
CID 157224691
octakis(2,2-dimethylpropane);furan;1H-imidazole;1,3-oxazole;pyridine;bis(1H-pyrrole);thiophene
CID 157493225
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
2-methylfuran;3-methylfuran;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylselenophene;3-methylselenophene;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
CID 157556841
3,4-dimethoxythiophene;3-methoxythiophene;3-methylfuran;1-methylimidazole;4-methyl-1,3-oxazole;4-methyl-1,3-thiazole;3-methylthiophene;1H-pyrrole;thiophene
CID 157647701
2,4-ditert-butylfuran;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-1-methylimidazole;2,4-ditert-butyl-1-methylpyrrole;2,4-ditert-butyl-1-methylpyrrol-3-ol;2,4-ditert-butyl-1,3-oxazole;2,4-ditert-butyl-1H-pyrrole;2,4-ditert-butyl-1,3-thiazole;2,4-ditert-butylthiophene
CID 157668364
1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;5-propan-2-yl-1H-1,2,4-triazole
CID 157685971
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-methylthiophene;3-methylthiophene;5-methyl-1,2,4-triazine
CID 157939285
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;5-methyl-1,2,4-triazine
CID 158108617
bicyclo[4.2.0]octa-1,3,5-triene;furan;1H-imidazole;1,3-oxazole;bis(1H-pyrrole);1,3-thiazole;thiophene
CID 158199399

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methoxythiophene;3-ethylthiophene;methane;3-methylfuran;1-methylimidazole;4-methyl-1,3-oxazole;4-methyl-1,3-thiazole;3-methylthiophene;1H-pyrrole;thiophene?
The IUPAC name of 3-ethyl-4-methoxythiophene;3-ethylthiophene;methane;3-methylfuran;1-methylimidazole;4-methyl-1,3-oxazole;4-methyl-1,3-thiazole;3-methylthiophene;1H-pyrrole;thiophene (CID 157157462) is 3-ethyl-4-methoxythiophene;3-ethylthiophene;methane;3-methylfuran;1-methylimidazole;4-methyl-1,3-oxazole;4-methyl-1,3-thiazole;3-methylthiophene;1H-pyrrole;thiophene.
What is the SMILES notation for 3-ethyl-4-methoxythiophene;3-ethylthiophene;methane;3-methylfuran;1-methylimidazole;4-methyl-1,3-oxazole;4-methyl-1,3-thiazole;3-methylthiophene;1H-pyrrole;thiophene?
The canonical SMILES for 3-ethyl-4-methoxythiophene;3-ethylthiophene;methane;3-methylfuran;1-methylimidazole;4-methyl-1,3-oxazole;4-methyl-1,3-thiazole;3-methylthiophene;1H-pyrrole;thiophene is C.C.C.CCc1ccsc1.CCc1cscc1OC.Cc1ccoc1.Cc1ccsc1.Cc1cocn1.Cc1cscn1.Cn1ccnc1.c1cc[nH]c1.c1ccsc1.
What is the InChIKey of 3-ethyl-4-methoxythiophene;3-ethylthiophene;methane;3-methylfuran;1-methylimidazole;4-methyl-1,3-oxazole;4-methyl-1,3-thiazole;3-methylthiophene;1H-pyrrole;thiophene?
The InChIKey is ALZCPKNCMSOTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10OS.C6H8S.C5H6O.C5H6S.C4H6N2.C4H5NO.C4H5NS.C4H5N.C4H4S.3CH4/c1-3-6-4-9-5-7(6)8-2;1-2-6-3-4-7-5-6;2*1-5-2-3-6-4-5;1-6-3-2-5-4-6;2*1-4-2-6-3-5-4;2*1-2-4-5-3-1;;;/h4-5H,3H2,1-2H3;3-5H,2H2,1H3;3*2-4H,1H3;2*2-3H,1H3;1-5H;1-4H;3*1H4.
What are the key properties of 3-ethyl-4-methoxythiophene;3-ethylthiophene;methane;3-methylfuran;1-methylimidazole;4-methyl-1,3-oxazole;4-methyl-1,3-thiazole;3-methylthiophene;1H-pyrrole;thiophene?
3-ethyl-4-methoxythiophene;3-ethylthiophene;methane;3-methylfuran;1-methylimidazole;4-methyl-1,3-oxazole;4-methyl-1,3-thiazole;3-methylthiophene;1H-pyrrole;thiophene has a molecular weight of 898.41 g/mol, XLogP of 15.80, 3 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methoxythiophene;3-ethylthiophene;methane;3-methylfuran;1-methylimidazole;4-methyl-1,3-oxazole;4-methyl-1,3-thiazole;3-methylthiophene;1H-pyrrole;thiophene is sourced from PubChem (CID 157157462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).