imidazole-1-carbaldehyde;thiophene

C8H8N2OS — CID 174553060

IUPACimidazole-1-carbaldehyde;thiophene
SMILESO=Cn1ccnc1.c1ccsc1
InChIInChI=1S/C4H4N2O.C4H4S/c7-4-6-2-1-5-3-6;1-2-4-5-3-1/h1-4H;1-4H
InChIKeyYSJRLZPSTHKJHN-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.67
Rot. Bonds1

About imidazole-1-carbaldehyde;thiophene

imidazole-1-carbaldehyde;thiophene (PubChem CID 174553060) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is imidazole-1-carbaldehyde;thiophene.

Molecular Properties

Compound Nameimidazole-1-carbaldehyde;thiophene
PubChem CID174553060
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Nameimidazole-1-carbaldehyde;thiophene
SMILESO=Cn1ccnc1.c1ccsc1
InChIInChI=1S/C4H4N2O.C4H4S/c7-4-6-2-1-5-3-6;1-2-4-5-3-1/h1-4H;1-4H
InChIKeyYSJRLZPSTHKJHN-UHFFFAOYSA-N
XLogP1.67
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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1,3-oxazole;thiophene
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CID 174466052
2-imidazol-1-ylpropan-2-ol
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oxaldehydic acid;thiophene
CID 87627867
thiophene;dihydrofluoride
CID 175081448
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CID 162184194
1-penta-1,4-dienylimidazole
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Frequently Asked Questions

What is the IUPAC name of imidazole-1-carbaldehyde;thiophene?
The IUPAC name of imidazole-1-carbaldehyde;thiophene (CID 174553060) is imidazole-1-carbaldehyde;thiophene.
What is the SMILES notation for imidazole-1-carbaldehyde;thiophene?
The canonical SMILES for imidazole-1-carbaldehyde;thiophene is O=Cn1ccnc1.c1ccsc1.
What is the InChIKey of imidazole-1-carbaldehyde;thiophene?
The InChIKey is YSJRLZPSTHKJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O.C4H4S/c7-4-6-2-1-5-3-6;1-2-4-5-3-1/h1-4H;1-4H.
What are the key properties of imidazole-1-carbaldehyde;thiophene?
imidazole-1-carbaldehyde;thiophene has a molecular weight of 180.23 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazole-1-carbaldehyde;thiophene is sourced from PubChem (CID 174553060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).