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

C22H24FN3O2S — CID 8715830

IUPAC2-[(5R)-2-(4-fluorophenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)C[C@H]1S/C(=N\c2ccc(F)cc2)N(CC(C)C)C1=O
InChIInChI=1S/C22H24FN3O2S/c1-14(2)13-26-21(28)19(12-20(27)25-18-7-5-4-6-15(18)3)29-22(26)24-17-10-8-16(23)9-11-17/h4-11,14,19H,12-13H2,1-3H3,(H,25,27)/b24-22-/t19-/m1/s1
InChIKeyCSQMNXVXTIHHMP-MAVBTGMRSA-N
MW413.52 g/mol
LogP4.75
Rot. Bonds6

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

2-[(5R)-2-(4-fluorophenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide (PubChem CID 8715830) has the molecular formula C22H24FN3O2S and a molecular weight of 413.52 g/mol. Its IUPAC name is 2-[(5R)-2-(4-fluorophenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5R)-2-(4-fluorophenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
PubChem CID8715830
Molecular FormulaC22H24FN3O2S
Molecular Weight413.52 g/mol
Exact Mass413.16
IUPAC Name2-[(5R)-2-(4-fluorophenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)C[C@H]1S/C(=N\c2ccc(F)cc2)N(CC(C)C)C1=O
InChIInChI=1S/C22H24FN3O2S/c1-14(2)13-26-21(28)19(12-20(27)25-18-7-5-4-6-15(18)3)29-22(26)24-17-10-8-16(23)9-11-17/h4-11,14,19H,12-13H2,1-3H3,(H,25,27)/b24-22-/t19-/m1/s1
InChIKeyCSQMNXVXTIHHMP-MAVBTGMRSA-N
XLogP4.75
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(5R)-2-(4-fluorophenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluorophenyl)-2-[(5S)-2-(4-methylphenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 7974243
2-[(5S)-3-(3-methylbutyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 8715739
N-(2-methoxyphenyl)-2-[(5S)-2-(2-methylphenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 8716052
2-[2-(4-ethoxyphenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 46802720
N-(2,4-dimethylphenyl)-2-[(5R)-3-ethyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 7318827
N-(2-bromophenyl)-2-[(5R)-2-(3-methylphenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 2371292
2-[(5S)-3-methyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 9429999
N-(2,4-dichlorophenyl)-2-[3-(2-methylpropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 11836299
N-(2-fluorophenyl)-2-[(5S)-3-(3-methylbutyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 8715702
2-(3-tert-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(2-methylphenyl)acetamide
CID 5128316
2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 8716009
N-(2-chlorophenyl)-2-[(5S)-2-(4-fluorophenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 41244460

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-2-(4-fluorophenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[(5R)-2-(4-fluorophenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide (CID 8715830) is 2-[(5R)-2-(4-fluorophenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(5R)-2-(4-fluorophenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[(5R)-2-(4-fluorophenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)C[C@H]1S/C(=N\c2ccc(F)cc2)N(CC(C)C)C1=O.
What is the InChIKey of 2-[(5R)-2-(4-fluorophenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is CSQMNXVXTIHHMP-MAVBTGMRSA-N. The full InChI is InChI=1S/C22H24FN3O2S/c1-14(2)13-26-21(28)19(12-20(27)25-18-7-5-4-6-15(18)3)29-22(26)24-17-10-8-16(23)9-11-17/h4-11,14,19H,12-13H2,1-3H3,(H,25,27)/b24-22-/t19-/m1/s1.
What are the key properties of 2-[(5R)-2-(4-fluorophenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide?
2-[(5R)-2-(4-fluorophenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 413.52 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-2-(4-fluorophenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 8715830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).