5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazole-2-thione

C10H7FN2OS2 — CID 137068979

IUPAC5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazole-2-thione
SMILESOc1[nH]c(=S)sc1/C=N/c1ccc(F)cc1
InChIInChI=1S/C10H7FN2OS2/c11-6-1-3-7(4-2-6)12-5-8-9(14)13-10(15)16-8/h1-5,14H,(H,13,15)/b12-5+
InChIKeyNOWUUNDYNYOKHE-LFYBBSHMSA-N
MW254.31 g/mol
LogP3.40
Rot. Bonds2

About 5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazole-2-thione

5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazole-2-thione (PubChem CID 137068979) has the molecular formula C10H7FN2OS2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazole-2-thione
PubChem CID137068979
Molecular FormulaC10H7FN2OS2
Molecular Weight254.31 g/mol
Exact Mass254.00
IUPAC Name5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazole-2-thione
SMILESOc1[nH]c(=S)sc1/C=N/c1ccc(F)cc1
InChIInChI=1S/C10H7FN2OS2/c11-6-1-3-7(4-2-6)12-5-8-9(14)13-10(15)16-8/h1-5,14H,(H,13,15)/b12-5+
InChIKeyNOWUUNDYNYOKHE-LFYBBSHMSA-N
XLogP3.40
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazole-2-thione?
The IUPAC name of 5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazole-2-thione (CID 137068979) is 5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazole-2-thione.
What is the SMILES notation for 5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazole-2-thione?
The canonical SMILES for 5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazole-2-thione is Oc1[nH]c(=S)sc1/C=N/c1ccc(F)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazole-2-thione?
The InChIKey is NOWUUNDYNYOKHE-LFYBBSHMSA-N. The full InChI is InChI=1S/C10H7FN2OS2/c11-6-1-3-7(4-2-6)12-5-8-9(14)13-10(15)16-8/h1-5,14H,(H,13,15)/b12-5+.
What are the key properties of 5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazole-2-thione?
5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazole-2-thione has a molecular weight of 254.31 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 137068979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).