2-[(5S)-2-(4-fluorophenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-propoxyphenyl)acetamide

C23H24FN3O3S — CID 41140769

IUPAC2-[(5S)-2-(4-fluorophenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-propoxyphenyl)acetamide
SMILESC=CCN1C(=O)[C@H](CC(=O)Nc2ccc(OCCC)cc2)S/C1=N\c1ccc(F)cc1
InChIInChI=1S/C23H24FN3O3S/c1-3-13-27-22(29)20(31-23(27)26-18-7-5-16(24)6-8-18)15-21(28)25-17-9-11-19(12-10-17)30-14-4-2/h3,5-12,20H,1,4,13-15H2,2H3,(H,25,28)/b26-23-/t20-/m0/s1
InChIKeyBJXSASCEYKRPRS-UOODYVSWSA-N
MW441.53 g/mol
LogP4.76
Rot. Bonds9

About 2-[(5S)-2-(4-fluorophenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-propoxyphenyl)acetamide

2-[(5S)-2-(4-fluorophenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-propoxyphenyl)acetamide (PubChem CID 41140769) has the molecular formula C23H24FN3O3S and a molecular weight of 441.53 g/mol. Its IUPAC name is 2-[(5S)-2-(4-fluorophenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-propoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(5S)-2-(4-fluorophenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-propoxyphenyl)acetamide
PubChem CID41140769
Molecular FormulaC23H24FN3O3S
Molecular Weight441.53 g/mol
Exact Mass441.15
IUPAC Name2-[(5S)-2-(4-fluorophenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-propoxyphenyl)acetamide
SMILESC=CCN1C(=O)[C@H](CC(=O)Nc2ccc(OCCC)cc2)S/C1=N\c1ccc(F)cc1
InChIInChI=1S/C23H24FN3O3S/c1-3-13-27-22(29)20(31-23(27)26-18-7-5-16(24)6-8-18)15-21(28)25-17-9-11-19(12-10-17)30-14-4-2/h3,5-12,20H,1,4,13-15H2,2H3,(H,25,28)/b26-23-/t20-/m0/s1
InChIKeyBJXSASCEYKRPRS-UOODYVSWSA-N
XLogP4.76
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-2-[(5S)-2-(4-fluorophenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 1299861
N-(4-ethoxyphenyl)-2-[(5R)-2-(4-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 8715878
N-(4-fluorophenyl)-2-(4-oxo-2-phenylimino-3-prop-2-enyl-1,3-thiazolidin-5-yl)acetamide
CID 42990606
N-(4-methylphenyl)-2-[(5S)-2-(4-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 8715863
2-[2-(4-fluorophenyl)sulfonylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-hexoxyphenyl)acetamide
CID 3928746
N-(4-iodophenyl)-2-[(5S)-2-(4-methoxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 1221449
N-(4-fluorophenyl)-2-[2-(3-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 42990803
2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-ethoxyphenyl)acetamide
CID 1300289
N-(4-ethoxyphenyl)-2-[(5R)-2-(4-fluorophenyl)imino-4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide
CID 28701760
N-(4-acetylphenyl)-2-(4-oxo-2-phenylimino-3-prop-2-enyl-1,3-thiazolidin-5-yl)acetamide
CID 42990608
2-[3-ethyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-iodophenyl)acetamide
CID 3575056
N-(4-fluorophenyl)-2-(2-naphthalen-1-ylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl)acetamide
CID 18824511

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-2-(4-fluorophenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-propoxyphenyl)acetamide?
The IUPAC name of 2-[(5S)-2-(4-fluorophenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-propoxyphenyl)acetamide (CID 41140769) is 2-[(5S)-2-(4-fluorophenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-propoxyphenyl)acetamide.
What is the SMILES notation for 2-[(5S)-2-(4-fluorophenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-propoxyphenyl)acetamide?
The canonical SMILES for 2-[(5S)-2-(4-fluorophenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-propoxyphenyl)acetamide is C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(OCCC)cc2)S/C1=N\c1ccc(F)cc1.
What is the InChIKey of 2-[(5S)-2-(4-fluorophenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-propoxyphenyl)acetamide?
The InChIKey is BJXSASCEYKRPRS-UOODYVSWSA-N. The full InChI is InChI=1S/C23H24FN3O3S/c1-3-13-27-22(29)20(31-23(27)26-18-7-5-16(24)6-8-18)15-21(28)25-17-9-11-19(12-10-17)30-14-4-2/h3,5-12,20H,1,4,13-15H2,2H3,(H,25,28)/b26-23-/t20-/m0/s1.
What are the key properties of 2-[(5S)-2-(4-fluorophenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-propoxyphenyl)acetamide?
2-[(5S)-2-(4-fluorophenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-propoxyphenyl)acetamide has a molecular weight of 441.53 g/mol, XLogP of 4.76, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-2-(4-fluorophenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-propoxyphenyl)acetamide is sourced from PubChem (CID 41140769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).