ethane;furan;pyridine;1H-pyrrole;thiophene

C25H42N2OS — CID 157248269

IUPACethane;furan;pyridine;1H-pyrrole;thiophene
SMILESCC.CC.CC.CC.c1cc[nH]c1.c1ccncc1.c1ccoc1.c1ccsc1
InChIInChI=1S/C5H5N.C4H5N.C4H4O.C4H4S.4C2H6/c1-2-4-6-5-3-1;3*1-2-4-5-3-1;4*1-2/h1-5H;1-5H;2*1-4H;4*1-2H3
InChIKeyAWAREFTXPAKJEO-UHFFFAOYSA-N
MW418.69 g/mol
LogP9.23
Rot. Bonds

About ethane;furan;pyridine;1H-pyrrole;thiophene

ethane;furan;pyridine;1H-pyrrole;thiophene (PubChem CID 157248269) has the molecular formula C25H42N2OS and a molecular weight of 418.69 g/mol. Its IUPAC name is ethane;furan;pyridine;1H-pyrrole;thiophene.

Molecular Properties

Compound Nameethane;furan;pyridine;1H-pyrrole;thiophene
PubChem CID157248269
Molecular FormulaC25H42N2OS
Molecular Weight418.69 g/mol
Exact Mass418.30
IUPAC Nameethane;furan;pyridine;1H-pyrrole;thiophene
SMILESCC.CC.CC.CC.c1cc[nH]c1.c1ccncc1.c1ccoc1.c1ccsc1
InChIInChI=1S/C5H5N.C4H5N.C4H4O.C4H4S.4C2H6/c1-2-4-6-5-3-1;3*1-2-4-5-3-1;4*1-2/h1-5H;1-5H;2*1-4H;4*1-2H3
InChIKeyAWAREFTXPAKJEO-UHFFFAOYSA-N
XLogP9.23
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.69
LogP ≤ 59.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-1-(1H-pyrrol-2-yl)ethanone
CID 2459051
furan;1H-pyrrole;thiophene
CID 18943047
Furan;pyridine;thiophene
CID 19385467
2-[5-(furan-2-yl)thiophen-2-yl]-1H-pyrrole
CID 130254975
2-[4-(furan-2-yl)-5-(1H-pyrrol-2-yl)thiophen-3-yl]pyridine
CID 140991023
2-[3-(furan-2-yl)-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2H-pyran-5-yl]pyridine
CID 141066194
4-(furan-2-yl)-2-pyridin-2-yl-2-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3H-1,3-oxazole
CID 141178246
1-(furan-2-yl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]methanamine;N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine
CID 144791956
Benzene;furan;bis(pyridine);1,3-thiazole
CID 157116389
benzene;furan;pentakis(3-methylbutan-2-one);pentakis(N-methylpropan-2-amine);pyridine;1H-pyrrole;thiophene
CID 157137600
ethane;furan;pyrazine;pyridine;pyrimidine;1H-pyrrole;thiophene
CID 157452308
furan;tetrakis(2-methylbutane);1H-pyrazole;pyridine;thiophene;vanadium
CID 157496456

Frequently Asked Questions

What is the IUPAC name of ethane;furan;pyridine;1H-pyrrole;thiophene?
The IUPAC name of ethane;furan;pyridine;1H-pyrrole;thiophene (CID 157248269) is ethane;furan;pyridine;1H-pyrrole;thiophene.
What is the SMILES notation for ethane;furan;pyridine;1H-pyrrole;thiophene?
The canonical SMILES for ethane;furan;pyridine;1H-pyrrole;thiophene is CC.CC.CC.CC.c1cc[nH]c1.c1ccncc1.c1ccoc1.c1ccsc1.
What is the InChIKey of ethane;furan;pyridine;1H-pyrrole;thiophene?
The InChIKey is AWAREFTXPAKJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C4H5N.C4H4O.C4H4S.4C2H6/c1-2-4-6-5-3-1;3*1-2-4-5-3-1;4*1-2/h1-5H;1-5H;2*1-4H;4*1-2H3.
What are the key properties of ethane;furan;pyridine;1H-pyrrole;thiophene?
ethane;furan;pyridine;1H-pyrrole;thiophene has a molecular weight of 418.69 g/mol, XLogP of 9.23, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;furan;pyridine;1H-pyrrole;thiophene is sourced from PubChem (CID 157248269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).