N-ethyl-2-[2-(2-ethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide

C18H23N3O2S — CID 3138929

IUPACN-ethyl-2-[2-(2-ethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
SMILESC=CCN1C(=O)C(CC(=O)NCC)S/C1=N\c1ccccc1CC
InChIInChI=1S/C18H23N3O2S/c1-4-11-21-17(23)15(12-16(22)19-6-3)24-18(21)20-14-10-8-7-9-13(14)5-2/h4,7-10,15H,1,5-6,11-12H2,2-3H3,(H,19,22)/b20-18-
InChIKeyVXXGRMRSHXQYSO-ZZEZOPTASA-N
MW345.47 g/mol
LogP2.89
Rot. Bonds7

About N-ethyl-2-[2-(2-ethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide

N-ethyl-2-[2-(2-ethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide (PubChem CID 3138929) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-ethyl-2-[2-(2-ethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[2-(2-ethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
PubChem CID3138929
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-ethyl-2-[2-(2-ethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
SMILESC=CCN1C(=O)C(CC(=O)NCC)S/C1=N\c1ccccc1CC
InChIInChI=1S/C18H23N3O2S/c1-4-11-21-17(23)15(12-16(22)19-6-3)24-18(21)20-14-10-8-7-9-13(14)5-2/h4,7-10,15H,1,5-6,11-12H2,2-3H3,(H,19,22)/b20-18-
InChIKeyVXXGRMRSHXQYSO-ZZEZOPTASA-N
XLogP2.89
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.89
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 N-ethyl-2-[2-(2-ethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-ethyl-2-[2-(2-ethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide (CID 3138929) is N-ethyl-2-[2-(2-ethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[2-(2-ethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-ethyl-2-[2-(2-ethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide is C=CCN1C(=O)C(CC(=O)NCC)S/C1=N\c1ccccc1CC.
What is the InChIKey of N-ethyl-2-[2-(2-ethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is VXXGRMRSHXQYSO-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-4-11-21-17(23)15(12-16(22)19-6-3)24-18(21)20-14-10-8-7-9-13(14)5-2/h4,7-10,15H,1,5-6,11-12H2,2-3H3,(H,19,22)/b20-18-.
What are the key properties of N-ethyl-2-[2-(2-ethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide?
N-ethyl-2-[2-(2-ethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 345.47 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(2-ethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 3138929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).