ethane;2-methylfuran;3-methylfuran;2-methylpyridine;3-methylpyridine;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene

C50H85N3O2S3 — CID 161212352

IUPACethane;2-methylfuran;3-methylfuran;2-methylpyridine;3-methylpyridine;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene
SMILESCC.CC.CC.CC.CC.CC.CC.Cc1ccccn1.Cc1cccnc1.Cc1ccco1.Cc1cccs1.Cc1ccns1.Cc1ccoc1.Cc1ccsc1
InChIInChI=1S/2C6H7N.2C5H6O.2C5H6S.C4H5NS.7C2H6/c1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;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;1-4-2-3-5-6-4;7*1-2/h2*2-5H,1H3;4*2-4H,1H3;2-3H,1H3;7*1-2H3
InChIKeyUWKDRMOPVLORTH-UHFFFAOYSA-N
MW856.45 g/mol
LogP18.70
Rot. Bonds

About ethane;2-methylfuran;3-methylfuran;2-methylpyridine;3-methylpyridine;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene

ethane;2-methylfuran;3-methylfuran;2-methylpyridine;3-methylpyridine;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene (PubChem CID 161212352) has the molecular formula C50H85N3O2S3 and a molecular weight of 856.45 g/mol. Its IUPAC name is ethane;2-methylfuran;3-methylfuran;2-methylpyridine;3-methylpyridine;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene.

Molecular Properties

Compound Nameethane;2-methylfuran;3-methylfuran;2-methylpyridine;3-methylpyridine;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene
PubChem CID161212352
Molecular FormulaC50H85N3O2S3
Molecular Weight856.45 g/mol
Exact Mass855.58
IUPAC Nameethane;2-methylfuran;3-methylfuran;2-methylpyridine;3-methylpyridine;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene
SMILESCC.CC.CC.CC.CC.CC.CC.Cc1ccccn1.Cc1cccnc1.Cc1ccco1.Cc1cccs1.Cc1ccns1.Cc1ccoc1.Cc1ccsc1
InChIInChI=1S/2C6H7N.2C5H6O.2C5H6S.C4H5NS.7C2H6/c1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;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;1-4-2-3-5-6-4;7*1-2/h2*2-5H,1H3;4*2-4H,1H3;2-3H,1H3;7*1-2H3
InChIKeyUWKDRMOPVLORTH-UHFFFAOYSA-N
XLogP18.70
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.45
LogP ≤ 518.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-(Furan-3-yl)-2-pyridin-4-yl-6-thiophen-2-ylpyridine
CID 44423810
4-(Furan-3-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423829
4-(Furan-2-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423834
4-(Furan-2-yl)-2-pyridin-3-yl-6-thiophen-2-ylpyridine
CID 44423836
bis(1,2-dimethylcyclopenta-1,3-diene);2,3-dimethylpyridine;2,3-dimethylthiophene;2,3-dimethyl-5-(trifluoromethyl)furan;1,2,4-trimethylcyclopenta-1,3-diene;bis(2,4,5-trimethyl-3H-pyrrole);1,2-xylene
CID 157623286
4-Tert-butyl-2-chloro-6-methylpyridine;5-tert-butyl-2-(1,1-difluoroethyl)pyridine;3-tert-butyl-1-methylcyclopenta-1,3-diene;4-tert-butyl-2-methylfuran;4-tert-butyl-2-methylthiophene;methane
CID 158755498
2-Chloro-1,4-dimethylpyrrole;2-chloro-4-methylfuran;2-chloro-4-methylthiophene;1,2-dimethyl-5-(trifluoromethyl)pyrrole;1,4-dimethyl-2-(trifluoromethyl)pyrrole;4-methyl-2-(trifluoromethyl)furan;2-methyl-5-(trifluoromethyl)thiophene;4-methyl-2-(trifluoromethyl)thiophene
CID 161875321
(2E)-3-(2-furyl)-N-[(3-methyl-2-thienyl)methyl]-N-(pyridin-2-ylmethyl)prop-2-en-1-amine
CID 46995818
4-(2-Furylmethylthio)-3-methyl-2-[(2-pyridinylthio)methyl]pyridine
CID 22117320
4-(2-Furylmethylthio)-3-methyl-2-[(4-pyridinylthio)methyl]pyridine
CID 22117354
3-[(E)-2-(furan-2-yl)ethenyl]-4-[[3-[(E)-2-(furan-2-yl)ethenyl]-4-pyridinyl]sulfinyl]pyridine
CID 139618868
2-[(E)-2-(furan-2-yl)ethenyl]-4-[[2-[(E)-2-(furan-2-yl)ethenyl]-4-pyridinyl]sulfinyl]pyridine
CID 139618886

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylfuran;3-methylfuran;2-methylpyridine;3-methylpyridine;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene?
The IUPAC name of ethane;2-methylfuran;3-methylfuran;2-methylpyridine;3-methylpyridine;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene (CID 161212352) is ethane;2-methylfuran;3-methylfuran;2-methylpyridine;3-methylpyridine;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene.
What is the SMILES notation for ethane;2-methylfuran;3-methylfuran;2-methylpyridine;3-methylpyridine;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene?
The canonical SMILES for ethane;2-methylfuran;3-methylfuran;2-methylpyridine;3-methylpyridine;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene is CC.CC.CC.CC.CC.CC.CC.Cc1ccccn1.Cc1cccnc1.Cc1ccco1.Cc1cccs1.Cc1ccns1.Cc1ccoc1.Cc1ccsc1.
What is the InChIKey of ethane;2-methylfuran;3-methylfuran;2-methylpyridine;3-methylpyridine;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene?
The InChIKey is UWKDRMOPVLORTH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H7N.2C5H6O.2C5H6S.C4H5NS.7C2H6/c1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;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;1-4-2-3-5-6-4;7*1-2/h2*2-5H,1H3;4*2-4H,1H3;2-3H,1H3;7*1-2H3.
What are the key properties of ethane;2-methylfuran;3-methylfuran;2-methylpyridine;3-methylpyridine;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene?
ethane;2-methylfuran;3-methylfuran;2-methylpyridine;3-methylpyridine;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene has a molecular weight of 856.45 g/mol, XLogP of 18.70, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylfuran;3-methylfuran;2-methylpyridine;3-methylpyridine;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene is sourced from PubChem (CID 161212352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).