4-(2-fluoro-3-pyridinyl)-5-(1H-imidazol-2-ylsulfanyl)thiophene-2-carbaldehyde

C13H8FN3OS2 — CID 86631606

IUPAC4-(2-fluoro-3-pyridinyl)-5-(1H-imidazol-2-ylsulfanyl)thiophene-2-carbaldehyde
SMILESO=Cc1cc(-c2cccnc2F)c(Sc2ncc[nH]2)s1
InChIInChI=1S/C13H8FN3OS2/c14-11-9(2-1-3-15-11)10-6-8(7-18)19-12(10)20-13-16-4-5-17-13/h1-7H,(H,16,17)
InChIKeyGUPYYKYYNRVBDA-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.64
Rot. Bonds4

About 4-(2-fluoro-3-pyridinyl)-5-(1H-imidazol-2-ylsulfanyl)thiophene-2-carbaldehyde

4-(2-fluoro-3-pyridinyl)-5-(1H-imidazol-2-ylsulfanyl)thiophene-2-carbaldehyde (PubChem CID 86631606) has the molecular formula C13H8FN3OS2 and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-(2-fluoro-3-pyridinyl)-5-(1H-imidazol-2-ylsulfanyl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name4-(2-fluoro-3-pyridinyl)-5-(1H-imidazol-2-ylsulfanyl)thiophene-2-carbaldehyde
PubChem CID86631606
Molecular FormulaC13H8FN3OS2
Molecular Weight305.36 g/mol
Exact Mass305.01
IUPAC Name4-(2-fluoro-3-pyridinyl)-5-(1H-imidazol-2-ylsulfanyl)thiophene-2-carbaldehyde
SMILESO=Cc1cc(-c2cccnc2F)c(Sc2ncc[nH]2)s1
InChIInChI=1S/C13H8FN3OS2/c14-11-9(2-1-3-15-11)10-6-8(7-18)19-12(10)20-13-16-4-5-17-13/h1-7H,(H,16,17)
InChIKeyGUPYYKYYNRVBDA-UHFFFAOYSA-N
XLogP3.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-3-pyridinyl)-5-(1H-imidazol-2-ylsulfanyl)thiophene-2-carbaldehyde?
The IUPAC name of 4-(2-fluoro-3-pyridinyl)-5-(1H-imidazol-2-ylsulfanyl)thiophene-2-carbaldehyde (CID 86631606) is 4-(2-fluoro-3-pyridinyl)-5-(1H-imidazol-2-ylsulfanyl)thiophene-2-carbaldehyde.
What is the SMILES notation for 4-(2-fluoro-3-pyridinyl)-5-(1H-imidazol-2-ylsulfanyl)thiophene-2-carbaldehyde?
The canonical SMILES for 4-(2-fluoro-3-pyridinyl)-5-(1H-imidazol-2-ylsulfanyl)thiophene-2-carbaldehyde is O=Cc1cc(-c2cccnc2F)c(Sc2ncc[nH]2)s1.
What is the InChIKey of 4-(2-fluoro-3-pyridinyl)-5-(1H-imidazol-2-ylsulfanyl)thiophene-2-carbaldehyde?
The InChIKey is GUPYYKYYNRVBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3OS2/c14-11-9(2-1-3-15-11)10-6-8(7-18)19-12(10)20-13-16-4-5-17-13/h1-7H,(H,16,17).
What are the key properties of 4-(2-fluoro-3-pyridinyl)-5-(1H-imidazol-2-ylsulfanyl)thiophene-2-carbaldehyde?
4-(2-fluoro-3-pyridinyl)-5-(1H-imidazol-2-ylsulfanyl)thiophene-2-carbaldehyde has a molecular weight of 305.36 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-3-pyridinyl)-5-(1H-imidazol-2-ylsulfanyl)thiophene-2-carbaldehyde is sourced from PubChem (CID 86631606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).