2-[2-(2,5-dichlorophenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-ethylacetamide

C16H17Cl2N3O2S — CID 3138932

IUPAC2-[2-(2,5-dichlorophenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-ethylacetamide
SMILESC=CCN1C(=O)C(CC(=O)NCC)S/C1=N\c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H17Cl2N3O2S/c1-3-7-21-15(23)13(9-14(22)19-4-2)24-16(21)20-12-8-10(17)5-6-11(12)18/h3,5-6,8,13H,1,4,7,9H2,2H3,(H,19,22)/b20-16-
InChIKeyLQBGPZZCIJADRB-SILNSSARSA-N
MW386.30 g/mol
LogP3.64
Rot. Bonds6

About 2-[2-(2,5-dichlorophenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-ethylacetamide

2-[2-(2,5-dichlorophenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-ethylacetamide (PubChem CID 3138932) has the molecular formula C16H17Cl2N3O2S and a molecular weight of 386.30 g/mol. Its IUPAC name is 2-[2-(2,5-dichlorophenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-(2,5-dichlorophenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-ethylacetamide
PubChem CID3138932
Molecular FormulaC16H17Cl2N3O2S
Molecular Weight386.30 g/mol
Exact Mass385.04
IUPAC Name2-[2-(2,5-dichlorophenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-ethylacetamide
SMILESC=CCN1C(=O)C(CC(=O)NCC)S/C1=N\c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H17Cl2N3O2S/c1-3-7-21-15(23)13(9-14(22)19-4-2)24-16(21)20-12-8-10(17)5-6-11(12)18/h3,5-6,8,13H,1,4,7,9H2,2H3,(H,19,22)/b20-16-
InChIKeyLQBGPZZCIJADRB-SILNSSARSA-N
XLogP3.64
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.30
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dichlorophenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-ethylacetamide?
The IUPAC name of 2-[2-(2,5-dichlorophenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-ethylacetamide (CID 3138932) is 2-[2-(2,5-dichlorophenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[2-(2,5-dichlorophenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-ethylacetamide?
The canonical SMILES for 2-[2-(2,5-dichlorophenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-ethylacetamide is C=CCN1C(=O)C(CC(=O)NCC)S/C1=N\c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[2-(2,5-dichlorophenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-ethylacetamide?
The InChIKey is LQBGPZZCIJADRB-SILNSSARSA-N. The full InChI is InChI=1S/C16H17Cl2N3O2S/c1-3-7-21-15(23)13(9-14(22)19-4-2)24-16(21)20-12-8-10(17)5-6-11(12)18/h3,5-6,8,13H,1,4,7,9H2,2H3,(H,19,22)/b20-16-.
What are the key properties of 2-[2-(2,5-dichlorophenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-ethylacetamide?
2-[2-(2,5-dichlorophenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-ethylacetamide has a molecular weight of 386.30 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dichlorophenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-ethylacetamide is sourced from PubChem (CID 3138932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).