2-(3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide

C24H20FN3O2S — CID 17382438

IUPAC2-(3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide
SMILESO=C(CC1S/C(=N\c2ccccc2)N(Cc2ccccc2)C1=O)Nc1ccc(F)cc1
InChIInChI=1S/C24H20FN3O2S/c25-18-11-13-20(14-12-18)26-22(29)15-21-23(30)28(16-17-7-3-1-4-8-17)24(31-21)27-19-9-5-2-6-10-19/h1-14,21H,15-16H2,(H,26,29)/b27-24-
InChIKeyHJWRJSQEZLGLPT-PNHLSOANSA-N
MW433.51 g/mol
LogP4.99
Rot. Bonds6

About 2-(3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide

2-(3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide (PubChem CID 17382438) has the molecular formula C24H20FN3O2S and a molecular weight of 433.51 g/mol. Its IUPAC name is 2-(3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide
PubChem CID17382438
Molecular FormulaC24H20FN3O2S
Molecular Weight433.51 g/mol
Exact Mass433.13
IUPAC Name2-(3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide
SMILESO=C(CC1S/C(=N\c2ccccc2)N(Cc2ccccc2)C1=O)Nc1ccc(F)cc1
InChIInChI=1S/C24H20FN3O2S/c25-18-11-13-20(14-12-18)26-22(29)15-21-23(30)28(16-17-7-3-1-4-8-17)24(31-21)27-19-9-5-2-6-10-19/h1-14,21H,15-16H2,(H,26,29)/b27-24-
InChIKeyHJWRJSQEZLGLPT-PNHLSOANSA-N
XLogP4.99
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5R)-3-benzyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-chlorophenyl)acetamide
CID 41245307
2-[(5S)-3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 40938601
N-(4-fluorophenyl)-2-(4-oxo-2-phenylimino-3-prop-2-enyl-1,3-thiazolidin-5-yl)acetamide
CID 42990606
2-[(5S)-3-[(4-fluorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2373063
2-[(5S)-3-[(4-fluorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-phenylethyl)acetamide
CID 41242533
2-[(5R)-3-benzyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 41245251
methyl 4-[[2-[(5S)-3-benzyl-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoate
CID 41245361
N-(4-fluorophenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 4858236
2-(3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(2-methoxyphenyl)acetamide
CID 42990588
N-(4-fluorophenyl)-2-[(5S)-2-(4-fluorophenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 1299861
ethyl 4-[[(5R)-5-(2-anilino-2-oxoethyl)-3-benzyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 41242631
4-[[2-[(5R)-4-oxo-3-(2-phenylethyl)-2-phenylimino-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
CID 29011034

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide (CID 17382438) is 2-(3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide is O=C(CC1S/C(=N\c2ccccc2)N(Cc2ccccc2)C1=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-(3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide?
The InChIKey is HJWRJSQEZLGLPT-PNHLSOANSA-N. The full InChI is InChI=1S/C24H20FN3O2S/c25-18-11-13-20(14-12-18)26-22(29)15-21-23(30)28(16-17-7-3-1-4-8-17)24(31-21)27-19-9-5-2-6-10-19/h1-14,21H,15-16H2,(H,26,29)/b27-24-.
What are the key properties of 2-(3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide?
2-(3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide has a molecular weight of 433.51 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 17382438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).