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

C11H9FN2O2S — CID 135941218

IUPAC5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3-methyl-1,3-thiazol-2-one
SMILESCn1c(O)c(/C=N/c2ccc(F)cc2)sc1=O
InChIInChI=1S/C11H9FN2O2S/c1-14-10(15)9(17-11(14)16)6-13-8-4-2-7(12)3-5-8/h2-6,15H,1H3/b13-6+
InChIKeyTUEXSOUVRKKLGX-AWNIVKPZSA-N
MW252.27 g/mol
LogP2.04
Rot. Bonds2

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

5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3-methyl-1,3-thiazol-2-one (PubChem CID 135941218) has the molecular formula C11H9FN2O2S and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3-methyl-1,3-thiazol-2-one
PubChem CID135941218
Molecular FormulaC11H9FN2O2S
Molecular Weight252.27 g/mol
Exact Mass252.04
IUPAC Name5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3-methyl-1,3-thiazol-2-one
SMILESCn1c(O)c(/C=N/c2ccc(F)cc2)sc1=O
InChIInChI=1S/C11H9FN2O2S/c1-14-10(15)9(17-11(14)16)6-13-8-4-2-7(12)3-5-8/h2-6,15H,1H3/b13-6+
InChIKeyTUEXSOUVRKKLGX-AWNIVKPZSA-N
XLogP2.04
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-3-methyl-1,3-thiazol-2-one?
The IUPAC name of 5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3-methyl-1,3-thiazol-2-one (CID 135941218) is 5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3-methyl-1,3-thiazol-2-one?
The canonical SMILES for 5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3-methyl-1,3-thiazol-2-one is Cn1c(O)c(/C=N/c2ccc(F)cc2)sc1=O.
What is the InChIKey of 5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3-methyl-1,3-thiazol-2-one?
The InChIKey is TUEXSOUVRKKLGX-AWNIVKPZSA-N. The full InChI is InChI=1S/C11H9FN2O2S/c1-14-10(15)9(17-11(14)16)6-13-8-4-2-7(12)3-5-8/h2-6,15H,1H3/b13-6+.
What are the key properties of 5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3-methyl-1,3-thiazol-2-one?
5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3-methyl-1,3-thiazol-2-one has a molecular weight of 252.27 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 135941218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).