N-(4-fluorophenyl)-2-[(5R)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide

C19H18FN3O2S — CID 135797709

IUPACN-(4-fluorophenyl)-2-[(5R)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(C[C@H]1S/C(=N/CCc2ccccc2)NC1=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H18FN3O2S/c20-14-6-8-15(9-7-14)22-17(24)12-16-18(25)23-19(26-16)21-11-10-13-4-2-1-3-5-13/h1-9,16H,10-12H2,(H,22,24)(H,21,23,25)/t16-/m1/s1
InChIKeyIBAZALCKKGKJHA-MRXNPFEDSA-N
MW371.44 g/mol
LogP2.98
Rot. Bonds6

About N-(4-fluorophenyl)-2-[(5R)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide

N-(4-fluorophenyl)-2-[(5R)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135797709) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(5R)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(5R)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide
PubChem CID135797709
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC NameN-(4-fluorophenyl)-2-[(5R)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(C[C@H]1S/C(=N/CCc2ccccc2)NC1=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H18FN3O2S/c20-14-6-8-15(9-7-14)22-17(24)12-16-18(25)23-19(26-16)21-11-10-13-4-2-1-3-5-13/h1-9,16H,10-12H2,(H,22,24)(H,21,23,25)/t16-/m1/s1
InChIKeyIBAZALCKKGKJHA-MRXNPFEDSA-N
XLogP2.98
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5S)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]-N-(4-propoxyphenyl)acetamide
CID 135692048
N-benzyl-2-[(5R)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide
CID 135952219
2-[(5S)-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 135836345
N-(4-fluorophenyl)-2-[(2E,5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135618401
N-(4-fluorophenyl)-2-[(5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 136817665
N-naphthalen-1-yl-2-[(5S)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide
CID 135836409
N-(4-fluorophenyl)-2-[(5S)-4-oxo-2-[(1S)-1-phenylethyl]imino-1,3-thiazolidin-5-yl]acetamide
CID 135691402
2-[(5R)-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135692217
2-[(5R)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-phenoxyphenyl)acetamide
CID 135691753
2-[(5S)-2-[(2R)-butan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 135797711
2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide
CID 135692255
2-[(2E)-2-(cinnamylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 135588756

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(5R)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(5R)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide (CID 135797709) is N-(4-fluorophenyl)-2-[(5R)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(5R)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(5R)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide is O=C(C[C@H]1S/C(=N/CCc2ccccc2)NC1=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(5R)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is IBAZALCKKGKJHA-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c20-14-6-8-15(9-7-14)22-17(24)12-16-18(25)23-19(26-16)21-11-10-13-4-2-1-3-5-13/h1-9,16H,10-12H2,(H,22,24)(H,21,23,25)/t16-/m1/s1.
What are the key properties of N-(4-fluorophenyl)-2-[(5R)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide?
N-(4-fluorophenyl)-2-[(5R)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 371.44 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(5R)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135797709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).