3-ethyl-2-(4-methoxyphenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one

C18H18N2O3S — CID 1233204

IUPAC3-ethyl-2-(4-methoxyphenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
SMILESCCN1C(=O)C(=Cc2ccc(C)o2)S/C1=N/c1ccc(OC)cc1
InChIInChI=1S/C18H18N2O3S/c1-4-20-17(21)16(11-15-8-5-12(2)23-15)24-18(20)19-13-6-9-14(22-3)10-7-13/h5-11H,4H2,1-3H3/b16-11?,19-18+
InChIKeyDVWKPSKKRXSYPX-YHRYSXBSSA-N
MW342.42 g/mol
LogP4.22
Rot. Bonds4

About 3-ethyl-2-(4-methoxyphenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one

3-ethyl-2-(4-methoxyphenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 1233204) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 3-ethyl-2-(4-methoxyphenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-ethyl-2-(4-methoxyphenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
PubChem CID1233204
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name3-ethyl-2-(4-methoxyphenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
SMILESCCN1C(=O)C(=Cc2ccc(C)o2)S/C1=N/c1ccc(OC)cc1
InChIInChI=1S/C18H18N2O3S/c1-4-20-17(21)16(11-15-8-5-12(2)23-15)24-18(20)19-13-6-9-14(22-3)10-7-13/h5-11H,4H2,1-3H3/b16-11?,19-18+
InChIKeyDVWKPSKKRXSYPX-YHRYSXBSSA-N
XLogP4.22
TPSA55.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.22
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

2-(4-methoxyphenyl)imino-3-methyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 73385393
(5E)-3-ethyl-2-(4-methoxyphenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 126236270
(5Z)-3-ethyl-2-(4-methoxyphenyl)imino-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 126015539
(5E)-5-[[5-(5-chloro-2-methylphenyl)furan-2-yl]methylidene]-3-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 126242644
(5E)-3-ethyl-5-[(5-methylfuran-2-yl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 18842274
(5E)-3-ethyl-5-[(4-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 9484688
(5Z)-5-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-3-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 126245985
(5E)-3-ethyl-2-(4-methoxyphenyl)imino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 126241653
(2E,5E)-3-ethyl-5-[(5-methylfuran-2-yl)methylidene]-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one
CID 18845344
(5E)-5-[(3-bromophenyl)methylidene]-3-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 126234618
5-[(2,4-diethoxyphenyl)methylidene]-3-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 1233200
(5E)-3-ethyl-2-(4-fluorophenyl)imino-5-[(4-methoxy-2-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 126237948

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(4-methoxyphenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 3-ethyl-2-(4-methoxyphenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one (CID 1233204) is 3-ethyl-2-(4-methoxyphenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-ethyl-2-(4-methoxyphenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-ethyl-2-(4-methoxyphenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one is CCN1C(=O)C(=Cc2ccc(C)o2)S/C1=N/c1ccc(OC)cc1.
What is the InChIKey of 3-ethyl-2-(4-methoxyphenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is DVWKPSKKRXSYPX-YHRYSXBSSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-4-20-17(21)16(11-15-8-5-12(2)23-15)24-18(20)19-13-6-9-14(22-3)10-7-13/h5-11H,4H2,1-3H3/b16-11?,19-18+.
What are the key properties of 3-ethyl-2-(4-methoxyphenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one?
3-ethyl-2-(4-methoxyphenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 342.42 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(4-methoxyphenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 1233204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).