2-(4-fluorophenyl)-3-prop-2-enyl-1,3-thiazolidin-4-one

C12H12FNOS — CID 42609894

IUPAC2-(4-fluorophenyl)-3-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)CSC1c1ccc(F)cc1
InChIInChI=1S/C12H12FNOS/c1-2-7-14-11(15)8-16-12(14)9-3-5-10(13)6-4-9/h2-6,12H,1,7-8H2
InChIKeyBXNCYKYARLVVSH-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.59
Rot. Bonds3

About 2-(4-fluorophenyl)-3-prop-2-enyl-1,3-thiazolidin-4-one

2-(4-fluorophenyl)-3-prop-2-enyl-1,3-thiazolidin-4-one (PubChem CID 42609894) has the molecular formula C12H12FNOS and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-prop-2-enyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-prop-2-enyl-1,3-thiazolidin-4-one
PubChem CID42609894
Molecular FormulaC12H12FNOS
Molecular Weight237.30 g/mol
Exact Mass237.06
IUPAC Name2-(4-fluorophenyl)-3-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)CSC1c1ccc(F)cc1
InChIInChI=1S/C12H12FNOS/c1-2-7-14-11(15)8-16-12(14)9-3-5-10(13)6-4-9/h2-6,12H,1,7-8H2
InChIKeyBXNCYKYARLVVSH-UHFFFAOYSA-N
XLogP2.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(Phenylmethyl)-2-thioxo-4-thiazolidinone
CID 97673
3-Benzyl-2-phenylthiazolidin-4-one
CID 231889
3-Phenethyl-2-thioxothiazolidin-4-one
CID 199253
2-(2-Fluorophenyl)-1,3-thiazolan-4-one
CID 2732088
Rhodanine, 3-(alpha-methylbenzyl)-
CID 99773
3-Benzyl-5-methyl-2-phenyl-thiazolidin-4-one
CID 2839914
3-Benzyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 3470012
N-(4-fluorobenzyl)-2-[(4-fluorobenzyl)thio]acetamide
CID 5045192
3-(2-Fluorophenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 5129447
2-phenyl-3-(N,N-dimethylaminopropyl)-1,3-thiazolidin-4-one
CID 126623
2-Benzyl-isothiazol-3-one
CID 647455
3-Benzyl-2-imino-1,3-thiazolidin-4-one
CID 1374508

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-prop-2-enyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-3-prop-2-enyl-1,3-thiazolidin-4-one (CID 42609894) is 2-(4-fluorophenyl)-3-prop-2-enyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-3-prop-2-enyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-3-prop-2-enyl-1,3-thiazolidin-4-one is C=CCN1C(=O)CSC1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-prop-2-enyl-1,3-thiazolidin-4-one?
The InChIKey is BXNCYKYARLVVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNOS/c1-2-7-14-11(15)8-16-12(14)9-3-5-10(13)6-4-9/h2-6,12H,1,7-8H2.
What are the key properties of 2-(4-fluorophenyl)-3-prop-2-enyl-1,3-thiazolidin-4-one?
2-(4-fluorophenyl)-3-prop-2-enyl-1,3-thiazolidin-4-one has a molecular weight of 237.30 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-prop-2-enyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 42609894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).