ethane;2-methylfuran;3-methylfuran;1-methylimidazole;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;toluene

C100H179N11O5S5 — CID 158475356

IUPACethane;2-methylfuran;3-methylfuran;1-methylimidazole;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;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc[nH]c1.Cc1ccc[nH]1.Cc1ccccc1.Cc1ccco1.Cc1cccs1.Cc1ccoc1.Cc1ccsc1.Cc1cnco1.Cc1cncs1.Cc1cocn1.Cc1cscn1.Cc1ncco1.Cc1nccs1.Cn1cccc1.Cn1ccnc1
InChIInChI=1S/C7H8.3C5H7N.2C5H6O.2C5H6S.C4H6N2.3C4H5NO.3C4H5NS.15C2H6/c1-7-5-3-2-4-6-7;1-5-2-3-6-4-5;1-6-4-2-3-5-6;1-5-3-2-4-6-5;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;1-6-3-2-5-4-6;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;15*1-2/h2-6H,1H3;2-4,6H,1H3;2-5H,1H3;2-4,6H,1H3;5*2-4H,1H3;6*2-3H,1H3;15*1-2H3
InChIKeyHGWCMUWIHCHEOR-UHFFFAOYSA-N
MW1775.94 g/mol
LogP36.07
Rot. Bonds

About ethane;2-methylfuran;3-methylfuran;1-methylimidazole;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;toluene

ethane;2-methylfuran;3-methylfuran;1-methylimidazole;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;toluene (PubChem CID 158475356) has the molecular formula C100H179N11O5S5 and a molecular weight of 1775.94 g/mol. Its IUPAC name is ethane;2-methylfuran;3-methylfuran;1-methylimidazole;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;toluene.

Molecular Properties

Compound Nameethane;2-methylfuran;3-methylfuran;1-methylimidazole;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;toluene
PubChem CID158475356
Molecular FormulaC100H179N11O5S5
Molecular Weight1775.94 g/mol
Exact Mass1774.27
IUPAC Nameethane;2-methylfuran;3-methylfuran;1-methylimidazole;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;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc[nH]c1.Cc1ccc[nH]1.Cc1ccccc1.Cc1ccco1.Cc1cccs1.Cc1ccoc1.Cc1ccsc1.Cc1cnco1.Cc1cncs1.Cc1cocn1.Cc1cscn1.Cc1ncco1.Cc1nccs1.Cn1cccc1.Cn1ccnc1
InChIInChI=1S/C7H8.3C5H7N.2C5H6O.2C5H6S.C4H6N2.3C4H5NO.3C4H5NS.15C2H6/c1-7-5-3-2-4-6-7;1-5-2-3-6-4-5;1-6-4-2-3-5-6;1-5-3-2-4-6-5;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;1-6-3-2-5-4-6;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;15*1-2/h2-6H,1H3;2-4,6H,1H3;2-5H,1H3;2-4,6H,1H3;5*2-4H,1H3;6*2-3H,1H3;15*1-2H3
InChIKeyHGWCMUWIHCHEOR-UHFFFAOYSA-N
XLogP36.07
TPSA197.37 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001775.94
LogP ≤ 536.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Analyze ethane;2-methylfuran;3-methylfuran;1-methylimidazole;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;toluene with MolForge

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Related Compounds

2-(1-Furan-2-ylmethyl-5-phenyl-1H-imidazol-2-ylsulfanyl)-N-(5-methyl-thiazol-2-yl)-acetamide
CID 650898
N-(furan-2-ylmethyl)-6-phenylimidazo[2,1-b]thiazole-3-carboxamide
CID 42270200
2-((1-(furan-2-ylmethyl)-5-phenyl-1H-imidazol-2-yl)thio)-N-(4-methylthiazol-2-yl)acetamide
CID 46916309
N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 5062414
N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 32339276
N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 32427763
N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
CID 36503739
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
CID 56072617
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 56072707
2-(furan-2-yl)-5-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-4-carboxamide
CID 45872696
[4-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 16389305
2-[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-12-[[4-(1H-imidazol-5-ylmethoxy)phenyl]methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazole-4-carboxamide
CID 25142124

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylfuran;3-methylfuran;1-methylimidazole;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;toluene?
The IUPAC name of ethane;2-methylfuran;3-methylfuran;1-methylimidazole;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;toluene (CID 158475356) is ethane;2-methylfuran;3-methylfuran;1-methylimidazole;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;toluene.
What is the SMILES notation for ethane;2-methylfuran;3-methylfuran;1-methylimidazole;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;toluene?
The canonical SMILES for ethane;2-methylfuran;3-methylfuran;1-methylimidazole;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;toluene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc[nH]c1.Cc1ccc[nH]1.Cc1ccccc1.Cc1ccco1.Cc1cccs1.Cc1ccoc1.Cc1ccsc1.Cc1cnco1.Cc1cncs1.Cc1cocn1.Cc1cscn1.Cc1ncco1.Cc1nccs1.Cn1cccc1.Cn1ccnc1.
What is the InChIKey of ethane;2-methylfuran;3-methylfuran;1-methylimidazole;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;toluene?
The InChIKey is HGWCMUWIHCHEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.3C5H7N.2C5H6O.2C5H6S.C4H6N2.3C4H5NO.3C4H5NS.15C2H6/c1-7-5-3-2-4-6-7;1-5-2-3-6-4-5;1-6-4-2-3-5-6;1-5-3-2-4-6-5;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;1-6-3-2-5-4-6;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;15*1-2/h2-6H,1H3;2-4,6H,1H3;2-5H,1H3;2-4,6H,1H3;5*2-4H,1H3;6*2-3H,1H3;15*1-2H3.
What are the key properties of ethane;2-methylfuran;3-methylfuran;1-methylimidazole;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;toluene?
ethane;2-methylfuran;3-methylfuran;1-methylimidazole;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;toluene has a molecular weight of 1775.94 g/mol, XLogP of 36.07, 0 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylfuran;3-methylfuran;1-methylimidazole;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;toluene is sourced from PubChem (CID 158475356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).