furan;1H-imidazole;2H-pyran;1H-pyrrole;thiophene

C20H23N3O2S — CID 174050590

IUPACfuran;1H-imidazole;2H-pyran;1H-pyrrole;thiophene
SMILESC1=CCOC=C1.c1c[nH]cn1.c1cc[nH]c1.c1ccoc1.c1ccsc1
InChIInChI=1S/C5H6O.C4H5N.C4H4O.C4H4S.C3H4N2/c1-2-4-6-5-3-1;3*1-2-4-5-3-1;1-2-5-3-4-1/h1-4H,5H2;1-5H;2*1-4H;1-3H,(H,4,5)
InChIKeyDEUVBVPYWXLAKF-UHFFFAOYSA-N
MW369.49 g/mol
LogP5.54
Rot. Bonds

About furan;1H-imidazole;2H-pyran;1H-pyrrole;thiophene

furan;1H-imidazole;2H-pyran;1H-pyrrole;thiophene (PubChem CID 174050590) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is furan;1H-imidazole;2H-pyran;1H-pyrrole;thiophene.

Molecular Properties

Compound Namefuran;1H-imidazole;2H-pyran;1H-pyrrole;thiophene
PubChem CID174050590
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Namefuran;1H-imidazole;2H-pyran;1H-pyrrole;thiophene
SMILESC1=CCOC=C1.c1c[nH]cn1.c1cc[nH]c1.c1ccoc1.c1ccsc1
InChIInChI=1S/C5H6O.C4H5N.C4H4O.C4H4S.C3H4N2/c1-2-4-6-5-3-1;3*1-2-4-5-3-1;1-2-5-3-4-1/h1-4H,5H2;1-5H;2*1-4H;1-3H,(H,4,5)
InChIKeyDEUVBVPYWXLAKF-UHFFFAOYSA-N
XLogP5.54
TPSA66.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.49
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of furan;1H-imidazole;2H-pyran;1H-pyrrole;thiophene?
The IUPAC name of furan;1H-imidazole;2H-pyran;1H-pyrrole;thiophene (CID 174050590) is furan;1H-imidazole;2H-pyran;1H-pyrrole;thiophene.
What is the SMILES notation for furan;1H-imidazole;2H-pyran;1H-pyrrole;thiophene?
The canonical SMILES for furan;1H-imidazole;2H-pyran;1H-pyrrole;thiophene is C1=CCOC=C1.c1c[nH]cn1.c1cc[nH]c1.c1ccoc1.c1ccsc1.
What is the InChIKey of furan;1H-imidazole;2H-pyran;1H-pyrrole;thiophene?
The InChIKey is DEUVBVPYWXLAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O.C4H5N.C4H4O.C4H4S.C3H4N2/c1-2-4-6-5-3-1;3*1-2-4-5-3-1;1-2-5-3-4-1/h1-4H,5H2;1-5H;2*1-4H;1-3H,(H,4,5).
What are the key properties of furan;1H-imidazole;2H-pyran;1H-pyrrole;thiophene?
furan;1H-imidazole;2H-pyran;1H-pyrrole;thiophene has a molecular weight of 369.49 g/mol, XLogP of 5.54, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan;1H-imidazole;2H-pyran;1H-pyrrole;thiophene is sourced from PubChem (CID 174050590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).