ethane;furan;1H-indole;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole

C39H63N5O2S — CID 158958592

IUPACethane;furan;1H-indole;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole
SMILESCC.CC.CC.CC.CC.CC.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccncc1.c1ccoc1.c1cocn1.c1cscn1
InChIInChI=1S/C8H7N.C5H5N.C4H5N.C4H4O.C3H3NO.C3H3NS.6C2H6/c1-2-4-8-7(3-1)5-6-9-8;1-2-4-6-5-3-1;2*1-2-4-5-3-1;2*1-2-5-3-4-1;6*1-2/h1-6,9H;1-5H;1-5H;1-4H;2*1-3H;6*1-2H3
InChIKeyJMIDWSAJFSRVHQ-UHFFFAOYSA-N
MW666.03 g/mol
LogP13.52
Rot. Bonds

About ethane;furan;1H-indole;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole

ethane;furan;1H-indole;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole (PubChem CID 158958592) has the molecular formula C39H63N5O2S and a molecular weight of 666.03 g/mol. Its IUPAC name is ethane;furan;1H-indole;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole.

Molecular Properties

Compound Nameethane;furan;1H-indole;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole
PubChem CID158958592
Molecular FormulaC39H63N5O2S
Molecular Weight666.03 g/mol
Exact Mass665.47
IUPAC Nameethane;furan;1H-indole;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole
SMILESCC.CC.CC.CC.CC.CC.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccncc1.c1ccoc1.c1cocn1.c1cscn1
InChIInChI=1S/C8H7N.C5H5N.C4H5N.C4H4O.C3H3NO.C3H3NS.6C2H6/c1-2-4-8-7(3-1)5-6-9-8;1-2-4-6-5-3-1;2*1-2-4-5-3-1;2*1-2-5-3-4-1;6*1-2/h1-6,9H;1-5H;1-5H;1-4H;2*1-3H;6*1-2H3
InChIKeyJMIDWSAJFSRVHQ-UHFFFAOYSA-N
XLogP13.52
TPSA96.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.03
LogP ≤ 513.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 36655716
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CID 157074292
aniline;benzenesulfonamide;ethane;furan;1H-indole;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole
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CID 157401617
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
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ethane;methane;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;toluene
CID 157532559
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
ethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;10-oxatricyclo[5.2.1.02,6]decane;1,3-oxazole;pyridine;1H-pyrrole;7-thiabicyclo[2.2.1]heptane;10-thiatricyclo[5.2.1.02,6]decane;1,3-thiazole
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ethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
CID 157878270
2,3-dihydro-1-benzofuran;furan;1H-indole;methane;1,3-oxazole;pyridine;3H-pyrrole
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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;toluene
CID 157879397

Frequently Asked Questions

What is the IUPAC name of ethane;furan;1H-indole;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole?
The IUPAC name of ethane;furan;1H-indole;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole (CID 158958592) is ethane;furan;1H-indole;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole.
What is the SMILES notation for ethane;furan;1H-indole;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole?
The canonical SMILES for ethane;furan;1H-indole;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole is CC.CC.CC.CC.CC.CC.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccncc1.c1ccoc1.c1cocn1.c1cscn1.
What is the InChIKey of ethane;furan;1H-indole;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole?
The InChIKey is JMIDWSAJFSRVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.C5H5N.C4H5N.C4H4O.C3H3NO.C3H3NS.6C2H6/c1-2-4-8-7(3-1)5-6-9-8;1-2-4-6-5-3-1;2*1-2-4-5-3-1;2*1-2-5-3-4-1;6*1-2/h1-6,9H;1-5H;1-5H;1-4H;2*1-3H;6*1-2H3.
What are the key properties of ethane;furan;1H-indole;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole?
ethane;furan;1H-indole;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole has a molecular weight of 666.03 g/mol, XLogP of 13.52, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;furan;1H-indole;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole is sourced from PubChem (CID 158958592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).