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

C14H15FN2O2S — CID 135941276

IUPAC3-butyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazol-2-one
SMILESCCCCn1c(O)c(/C=N/c2ccc(F)cc2)sc1=O
InChIInChI=1S/C14H15FN2O2S/c1-2-3-8-17-13(18)12(20-14(17)19)9-16-11-6-4-10(15)5-7-11/h4-7,9,18H,2-3,8H2,1H3/b16-9+
InChIKeyAEYFLXYMGVGXMS-CXUHLZMHSA-N
MW294.35 g/mol
LogP3.31
Rot. Bonds5

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

3-butyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazol-2-one (PubChem CID 135941276) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-butyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-butyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazol-2-one
PubChem CID135941276
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name3-butyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazol-2-one
SMILESCCCCn1c(O)c(/C=N/c2ccc(F)cc2)sc1=O
InChIInChI=1S/C14H15FN2O2S/c1-2-3-8-17-13(18)12(20-14(17)19)9-16-11-6-4-10(15)5-7-11/h4-7,9,18H,2-3,8H2,1H3/b16-9+
InChIKeyAEYFLXYMGVGXMS-CXUHLZMHSA-N
XLogP3.31
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.31
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 3-butyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazol-2-one?
The IUPAC name of 3-butyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazol-2-one (CID 135941276) is 3-butyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazol-2-one.
What is the SMILES notation for 3-butyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazol-2-one?
The canonical SMILES for 3-butyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazol-2-one is CCCCn1c(O)c(/C=N/c2ccc(F)cc2)sc1=O.
What is the InChIKey of 3-butyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazol-2-one?
The InChIKey is AEYFLXYMGVGXMS-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-2-3-8-17-13(18)12(20-14(17)19)9-16-11-6-4-10(15)5-7-11/h4-7,9,18H,2-3,8H2,1H3/b16-9+.
What are the key properties of 3-butyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazol-2-one?
3-butyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazol-2-one has a molecular weight of 294.35 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazol-2-one is sourced from PubChem (CID 135941276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).