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

C20H20FN3O3S — CID 135704997

IUPAC2-[(5R)-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-propoxyphenyl)acetamide
SMILESCCCOc1ccccc1NC(=O)C[C@H]1S/C(=N\c2ccc(F)cc2)NC1=O
InChIInChI=1S/C20H20FN3O3S/c1-2-11-27-16-6-4-3-5-15(16)23-18(25)12-17-19(26)24-20(28-17)22-14-9-7-13(21)8-10-14/h3-10,17H,2,11-12H2,1H3,(H,23,25)(H,22,24,26)/t17-/m1/s1
InChIKeyHGFFWVPWVSCTKN-QGZVFWFLSA-N
MW401.46 g/mol
LogP3.86
Rot. Bonds7

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

2-[(5R)-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-propoxyphenyl)acetamide (PubChem CID 135704997) has the molecular formula C20H20FN3O3S and a molecular weight of 401.46 g/mol. Its IUPAC name is 2-[(5R)-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-propoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(5R)-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-propoxyphenyl)acetamide
PubChem CID135704997
Molecular FormulaC20H20FN3O3S
Molecular Weight401.46 g/mol
Exact Mass401.12
IUPAC Name2-[(5R)-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-propoxyphenyl)acetamide
SMILESCCCOc1ccccc1NC(=O)C[C@H]1S/C(=N\c2ccc(F)cc2)NC1=O
InChIInChI=1S/C20H20FN3O3S/c1-2-11-27-16-6-4-3-5-15(16)23-18(25)12-17-19(26)24-20(28-17)22-14-9-7-13(21)8-10-14/h3-10,17H,2,11-12H2,1H3,(H,23,25)(H,22,24,26)/t17-/m1/s1
InChIKeyHGFFWVPWVSCTKN-QGZVFWFLSA-N
XLogP3.86
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(5R)-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-propoxyphenyl)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

2-[(5S)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-propoxyphenyl)acetamide
CID 135705652
2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-propoxyphenyl)acetamide
CID 135692269
N-(2-methoxyphenyl)-2-[(5R)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691624
2-[(5R)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 135691912
N-(2-aminophenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
CID 135989803
2-[(5S)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide
CID 135691919
2-[(5R)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide
CID 135691920
2-[(5S)-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 135704966
N-(4-butoxyphenyl)-2-[(5R)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 135764192
N-(2,3-dimethylphenyl)-2-[(5R)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135834030
2-[(5S)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135761147
2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-(2-propoxyphenyl)acetamide
CID 2856384

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-propoxyphenyl)acetamide?
The IUPAC name of 2-[(5R)-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-propoxyphenyl)acetamide (CID 135704997) is 2-[(5R)-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-propoxyphenyl)acetamide.
What is the SMILES notation for 2-[(5R)-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-propoxyphenyl)acetamide?
The canonical SMILES for 2-[(5R)-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-propoxyphenyl)acetamide is CCCOc1ccccc1NC(=O)C[C@H]1S/C(=N\c2ccc(F)cc2)NC1=O.
What is the InChIKey of 2-[(5R)-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-propoxyphenyl)acetamide?
The InChIKey is HGFFWVPWVSCTKN-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H20FN3O3S/c1-2-11-27-16-6-4-3-5-15(16)23-18(25)12-17-19(26)24-20(28-17)22-14-9-7-13(21)8-10-14/h3-10,17H,2,11-12H2,1H3,(H,23,25)(H,22,24,26)/t17-/m1/s1.
What are the key properties of 2-[(5R)-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-propoxyphenyl)acetamide?
2-[(5R)-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-propoxyphenyl)acetamide has a molecular weight of 401.46 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-propoxyphenyl)acetamide is sourced from PubChem (CID 135704997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).