5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazol-2-one

C10H7FN2O2S — CID 135941207

IUPAC5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(O)c(/C=N/c2ccc(F)cc2)s1
InChIInChI=1S/C10H7FN2O2S/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+
InChIKeyAYGWRDYDEXEAAU-LFYBBSHMSA-N
MW238.24 g/mol
LogP2.03
Rot. Bonds2

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

5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazol-2-one (PubChem CID 135941207) has the molecular formula C10H7FN2O2S and a molecular weight of 238.24 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazol-2-one
PubChem CID135941207
Molecular FormulaC10H7FN2O2S
Molecular Weight238.24 g/mol
Exact Mass238.02
IUPAC Name5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(O)c(/C=N/c2ccc(F)cc2)s1
InChIInChI=1S/C10H7FN2O2S/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+
InChIKeyAYGWRDYDEXEAAU-LFYBBSHMSA-N
XLogP2.03
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-thiazol-2-one?
The IUPAC name of 5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazol-2-one (CID 135941207) is 5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazol-2-one is O=c1[nH]c(O)c(/C=N/c2ccc(F)cc2)s1.
What is the InChIKey of 5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The InChIKey is AYGWRDYDEXEAAU-LFYBBSHMSA-N. The full InChI is InChI=1S/C10H7FN2O2S/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-thiazol-2-one?
5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazol-2-one has a molecular weight of 238.24 g/mol, XLogP of 2.03, 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-thiazol-2-one is sourced from PubChem (CID 135941207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).