2-(4-ethoxyphenyl)imino-3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one

C18H18N2O3S — CID 1231908

IUPAC2-(4-ethoxyphenyl)imino-3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCCOc1ccc(/N=C2/SC(=Cc3ccco3)C(=O)N2CC)cc1
InChIInChI=1S/C18H18N2O3S/c1-3-20-17(21)16(12-15-6-5-11-23-15)24-18(20)19-13-7-9-14(10-8-13)22-4-2/h5-12H,3-4H2,1-2H3/b16-12?,19-18+
InChIKeyUOVJVXIHQBNZAL-QGTCEQILSA-N
MW342.42 g/mol
LogP4.30
Rot. Bonds5

About 2-(4-ethoxyphenyl)imino-3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one

2-(4-ethoxyphenyl)imino-3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 1231908) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)imino-3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)imino-3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID1231908
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name2-(4-ethoxyphenyl)imino-3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCCOc1ccc(/N=C2/SC(=Cc3ccco3)C(=O)N2CC)cc1
InChIInChI=1S/C18H18N2O3S/c1-3-20-17(21)16(12-15-6-5-11-23-15)24-18(20)19-13-7-9-14(10-8-13)22-4-2/h5-12H,3-4H2,1-2H3/b16-12?,19-18+
InChIKeyUOVJVXIHQBNZAL-QGTCEQILSA-N
XLogP4.30
TPSA55.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-3-ethyl-2-(4-fluorophenyl)imino-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 126237131
ethyl 3-[[3-ethyl-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 4006204
propyl 3-[[(5E)-3-ethyl-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 9485486
5-[[4-(diethylamino)phenyl]methylidene]-2-(4-ethoxyphenyl)imino-3-ethyl-1,3-thiazolidin-4-one
CID 4111491
5-[(2,4-diethoxyphenyl)methylidene]-3-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 1233200
5-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-2-(4-ethoxyphenyl)imino-3-ethyl-1,3-thiazolidin-4-one
CID 1231712
(5Z)-2-(3,4-dimethylphenyl)imino-5-[(4-ethoxyphenyl)methylidene]-3-ethyl-1,3-thiazolidin-4-one
CID 8990602
3-(4-ethoxyphenyl)-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1284167
3-ethyl-2-(4-methoxyphenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 1233204
3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 4760530
5-[(3-ethoxyphenyl)methylidene]-3-ethyl-2-phenylimino-1,3-thiazolidin-4-one
CID 1233179
(5E)-3-ethyl-2-(4-methoxyphenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 126236270

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)imino-3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-ethoxyphenyl)imino-3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one (CID 1231908) is 2-(4-ethoxyphenyl)imino-3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-ethoxyphenyl)imino-3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-ethoxyphenyl)imino-3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one is CCOc1ccc(/N=C2/SC(=Cc3ccco3)C(=O)N2CC)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)imino-3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is UOVJVXIHQBNZAL-QGTCEQILSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-3-20-17(21)16(12-15-6-5-11-23-15)24-18(20)19-13-7-9-14(10-8-13)22-4-2/h5-12H,3-4H2,1-2H3/b16-12?,19-18+.
What are the key properties of 2-(4-ethoxyphenyl)imino-3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one?
2-(4-ethoxyphenyl)imino-3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 342.42 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)imino-3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 1231908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).