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

C21H19ClFN3O2S — CID 27523379

IUPAC2-[(5S)-2-(3-chloro-2-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
SMILESC=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N\c1cccc(Cl)c1C
InChIInChI=1S/C21H19ClFN3O2S/c1-3-11-26-20(28)18(12-19(27)24-17-9-5-4-8-15(17)23)29-21(26)25-16-10-6-7-14(22)13(16)2/h3-10,18H,1,11-12H2,2H3,(H,24,27)/b25-21-/t18-/m0/s1
InChIKeyAGFFXQWYTMRIJS-IIPXAIGGSA-N
MW431.92 g/mol
LogP4.93
Rot. Bonds6

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

2-[(5S)-2-(3-chloro-2-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 27523379) has the molecular formula C21H19ClFN3O2S and a molecular weight of 431.92 g/mol. Its IUPAC name is 2-[(5S)-2-(3-chloro-2-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(5S)-2-(3-chloro-2-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
PubChem CID27523379
Molecular FormulaC21H19ClFN3O2S
Molecular Weight431.92 g/mol
Exact Mass431.09
IUPAC Name2-[(5S)-2-(3-chloro-2-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
SMILESC=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N\c1cccc(Cl)c1C
InChIInChI=1S/C21H19ClFN3O2S/c1-3-11-26-20(28)18(12-19(27)24-17-9-5-4-8-15(17)23)29-21(26)25-16-10-6-7-14(22)13(16)2/h3-10,18H,1,11-12H2,2H3,(H,24,27)/b25-21-/t18-/m0/s1
InChIKeyAGFFXQWYTMRIJS-IIPXAIGGSA-N
XLogP4.93
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.92
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-fluorophenyl)-2-[(5S)-4-oxo-2-phenylimino-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 7974103
N-(2-fluorophenyl)-2-[(5R)-2-(4-methoxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 7974369
N-(2,6-dimethylphenyl)-2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 7974486
N-(2,3-dichlorophenyl)-2-[(5S)-2-(3,4-dimethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 1498567
2-[(5S)-2-(3-chloro-4-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2,3-dimethylphenyl)acetamide
CID 1218059
N-(5-chloro-2-methoxyphenyl)-2-[(5S)-2-(2-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 1217994
2-[2-(3-acetylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide
CID 11836371
2-[(5S)-2-(2-ethoxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 8715992
2-[(5R)-2-(2,4-dichlorophenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 1299590
2-[3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(2,3-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 4033558
N-(4-fluorophenyl)-2-(2-naphthalen-1-ylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl)acetamide
CID 18824511
2-[(5S)-2-naphthalen-1-ylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 1213678

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-2-(3-chloro-2-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[(5S)-2-(3-chloro-2-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide (CID 27523379) is 2-[(5S)-2-(3-chloro-2-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(5S)-2-(3-chloro-2-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[(5S)-2-(3-chloro-2-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide is C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N\c1cccc(Cl)c1C.
What is the InChIKey of 2-[(5S)-2-(3-chloro-2-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is AGFFXQWYTMRIJS-IIPXAIGGSA-N. The full InChI is InChI=1S/C21H19ClFN3O2S/c1-3-11-26-20(28)18(12-19(27)24-17-9-5-4-8-15(17)23)29-21(26)25-16-10-6-7-14(22)13(16)2/h3-10,18H,1,11-12H2,2H3,(H,24,27)/b25-21-/t18-/m0/s1.
What are the key properties of 2-[(5S)-2-(3-chloro-2-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide?
2-[(5S)-2-(3-chloro-2-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 431.92 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-2-(3-chloro-2-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 27523379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).