2-[3-(2-hydroxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide

C19H19N3O3S — CID 3136261

IUPAC2-[3-(2-hydroxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESO=C(CC1S/C(=N\c2ccccc2)N(CCO)C1=O)Nc1ccccc1
InChIInChI=1S/C19H19N3O3S/c23-12-11-22-18(25)16(13-17(24)20-14-7-3-1-4-8-14)26-19(22)21-15-9-5-2-6-10-15/h1-10,16,23H,11-13H2,(H,20,24)/b21-19-
InChIKeyPKJXWDSYNWYWFJ-VZCXRCSSSA-N
MW369.45 g/mol
LogP2.64
Rot. Bonds6

About 2-[3-(2-hydroxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide

2-[3-(2-hydroxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide (PubChem CID 3136261) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-(2-hydroxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide
PubChem CID3136261
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name2-[3-(2-hydroxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESO=C(CC1S/C(=N\c2ccccc2)N(CCO)C1=O)Nc1ccccc1
InChIInChI=1S/C19H19N3O3S/c23-12-11-22-18(25)16(13-17(24)20-14-7-3-1-4-8-14)26-19(22)21-15-9-5-2-6-10-15/h1-10,16,23H,11-13H2,(H,20,24)/b21-19-
InChIKeyPKJXWDSYNWYWFJ-VZCXRCSSSA-N
XLogP2.64
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The IUPAC name of 2-[3-(2-hydroxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide (CID 3136261) is 2-[3-(2-hydroxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[3-(2-hydroxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The canonical SMILES for 2-[3-(2-hydroxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide is O=C(CC1S/C(=N\c2ccccc2)N(CCO)C1=O)Nc1ccccc1.
What is the InChIKey of 2-[3-(2-hydroxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The InChIKey is PKJXWDSYNWYWFJ-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H19N3O3S/c23-12-11-22-18(25)16(13-17(24)20-14-7-3-1-4-8-14)26-19(22)21-15-9-5-2-6-10-15/h1-10,16,23H,11-13H2,(H,20,24)/b21-19-.
What are the key properties of 2-[3-(2-hydroxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide?
2-[3-(2-hydroxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide has a molecular weight of 369.45 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide is sourced from PubChem (CID 3136261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).