2-[(5S)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-propoxyphenyl)acetamide

C20H21N3O3S — CID 135705652

IUPAC2-[(5S)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-propoxyphenyl)acetamide
SMILESCCCOc1ccccc1NC(=O)C[C@@H]1S/C(=N\c2ccccc2)NC1=O
InChIInChI=1S/C20H21N3O3S/c1-2-12-26-16-11-7-6-10-15(16)22-18(24)13-17-19(25)23-20(27-17)21-14-8-4-3-5-9-14/h3-11,17H,2,12-13H2,1H3,(H,22,24)(H,21,23,25)/t17-/m0/s1
InChIKeyRYMLATUHIGRCHV-KRWDZBQOSA-N
MW383.47 g/mol
LogP3.72
Rot. Bonds7

About 2-[(5S)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-propoxyphenyl)acetamide

2-[(5S)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-propoxyphenyl)acetamide (PubChem CID 135705652) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-[(5S)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-propoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(5S)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-propoxyphenyl)acetamide
PubChem CID135705652
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name2-[(5S)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-propoxyphenyl)acetamide
SMILESCCCOc1ccccc1NC(=O)C[C@@H]1S/C(=N\c2ccccc2)NC1=O
InChIInChI=1S/C20H21N3O3S/c1-2-12-26-16-11-7-6-10-15(16)22-18(24)13-17-19(25)23-20(27-17)21-14-8-4-3-5-9-14/h3-11,17H,2,12-13H2,1H3,(H,22,24)(H,21,23,25)/t17-/m0/s1
InChIKeyRYMLATUHIGRCHV-KRWDZBQOSA-N
XLogP3.72
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(5R)-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-propoxyphenyl)acetamide
CID 135704997
2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-propoxyphenyl)acetamide
CID 135692269
N-(2-aminophenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
CID 135989803
N-(2-methoxyphenyl)-2-[(5R)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691624
N-(4-butoxyphenyl)-2-[(5R)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 135764192
N-(2-chlorophenyl)-2-[(5S)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 135748169
N-(4-ethoxyphenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
CID 135456969
N-(2-nitrophenyl)-2-[(5R)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 135816473
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-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135761147
2-[(5S)-2-(2,6-diethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 135725287

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-propoxyphenyl)acetamide?
The IUPAC name of 2-[(5S)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-propoxyphenyl)acetamide (CID 135705652) is 2-[(5S)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-propoxyphenyl)acetamide.
What is the SMILES notation for 2-[(5S)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-propoxyphenyl)acetamide?
The canonical SMILES for 2-[(5S)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-propoxyphenyl)acetamide is CCCOc1ccccc1NC(=O)C[C@@H]1S/C(=N\c2ccccc2)NC1=O.
What is the InChIKey of 2-[(5S)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-propoxyphenyl)acetamide?
The InChIKey is RYMLATUHIGRCHV-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-2-12-26-16-11-7-6-10-15(16)22-18(24)13-17-19(25)23-20(27-17)21-14-8-4-3-5-9-14/h3-11,17H,2,12-13H2,1H3,(H,22,24)(H,21,23,25)/t17-/m0/s1.
What are the key properties of 2-[(5S)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-propoxyphenyl)acetamide?
2-[(5S)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-propoxyphenyl)acetamide has a molecular weight of 383.47 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-propoxyphenyl)acetamide is sourced from PubChem (CID 135705652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).