5-fluoropyrimidine-2-carbothialdehyde

C5H3FN2S — CID 54332900

IUPAC5-fluoropyrimidine-2-carbothialdehyde
SMILESFc1cnc(C=S)nc1
InChIInChI=1S/C5H3FN2S/c6-4-1-7-5(3-9)8-2-4/h1-3H
InChIKeySZOYZZDRRIVIAD-UHFFFAOYSA-N
MW142.16 g/mol
LogP0.96
Rot. Bonds1

About 5-fluoropyrimidine-2-carbothialdehyde

5-fluoropyrimidine-2-carbothialdehyde (PubChem CID 54332900) has the molecular formula C5H3FN2S and a molecular weight of 142.16 g/mol. Its IUPAC name is 5-fluoropyrimidine-2-carbothialdehyde.

Molecular Properties

Compound Name5-fluoropyrimidine-2-carbothialdehyde
PubChem CID54332900
Molecular FormulaC5H3FN2S
Molecular Weight142.16 g/mol
Exact Mass142.00
IUPAC Name5-fluoropyrimidine-2-carbothialdehyde
SMILESFc1cnc(C=S)nc1
InChIInChI=1S/C5H3FN2S/c6-4-1-7-5(3-9)8-2-4/h1-3H
InChIKeySZOYZZDRRIVIAD-UHFFFAOYSA-N
XLogP0.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoropyrimidine-2-carbothialdehyde?
The IUPAC name of 5-fluoropyrimidine-2-carbothialdehyde (CID 54332900) is 5-fluoropyrimidine-2-carbothialdehyde.
What is the SMILES notation for 5-fluoropyrimidine-2-carbothialdehyde?
The canonical SMILES for 5-fluoropyrimidine-2-carbothialdehyde is Fc1cnc(C=S)nc1.
What is the InChIKey of 5-fluoropyrimidine-2-carbothialdehyde?
The InChIKey is SZOYZZDRRIVIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3FN2S/c6-4-1-7-5(3-9)8-2-4/h1-3H.
What are the key properties of 5-fluoropyrimidine-2-carbothialdehyde?
5-fluoropyrimidine-2-carbothialdehyde has a molecular weight of 142.16 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoropyrimidine-2-carbothialdehyde is sourced from PubChem (CID 54332900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).