(5E)-5-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one

C20H28N2O2S — CID 5455888

IUPAC(5E)-5-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one
SMILESCC/N=C1\S/C(=C/c2cc(C(C)C)c(OCC)cc2C)C(=O)N1CC
InChIInChI=1S/C20H28N2O2S/c1-7-21-20-22(8-2)19(23)18(25-20)12-15-11-16(13(4)5)17(24-9-3)10-14(15)6/h10-13H,7-9H2,1-6H3/b18-12+,21-20-
InChIKeyDKHDAVHPUFHQDD-KDWIEBRMSA-N
MW360.52 g/mol
LogP4.83
Rot. Bonds6

About (5E)-5-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one

(5E)-5-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one (PubChem CID 5455888) has the molecular formula C20H28N2O2S and a molecular weight of 360.52 g/mol. Its IUPAC name is (5E)-5-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one
PubChem CID5455888
Molecular FormulaC20H28N2O2S
Molecular Weight360.52 g/mol
Exact Mass360.19
IUPAC Name(5E)-5-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one
SMILESCC/N=C1\S/C(=C/c2cc(C(C)C)c(OCC)cc2C)C(=O)N1CC
InChIInChI=1S/C20H28N2O2S/c1-7-21-20-22(8-2)19(23)18(25-20)12-15-11-16(13(4)5)17(24-9-3)10-14(15)6/h10-13H,7-9H2,1-6H3/b18-12+,21-20-
InChIKeyDKHDAVHPUFHQDD-KDWIEBRMSA-N
XLogP4.83
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

3-ethyl-2-ethylimino-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 1208545
(5E)-5-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione
CID 126253233
5-[(2-bromo-3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one
CID 4687456
(5E)-5-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 21377333
(5Z)-3-ethyl-2-ethylimino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 18838722
3-[[(5Z)-5-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 6208636
(5Z)-5-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-3-[[(2S)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126090364
(5Z)-5-[(4-ethoxyphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one
CID 6137186
(5Z)-5-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
CID 6078500
(5Z)-3-ethyl-2-ethylimino-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 18838724
2-[(5E)-5-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)acetamide
CID 126258599
5-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 2290640

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one (CID 5455888) is (5E)-5-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one is CC/N=C1\S/C(=C/c2cc(C(C)C)c(OCC)cc2C)C(=O)N1CC.
What is the InChIKey of (5E)-5-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one?
The InChIKey is DKHDAVHPUFHQDD-KDWIEBRMSA-N. The full InChI is InChI=1S/C20H28N2O2S/c1-7-21-20-22(8-2)19(23)18(25-20)12-15-11-16(13(4)5)17(24-9-3)10-14(15)6/h10-13H,7-9H2,1-6H3/b18-12+,21-20-.
What are the key properties of (5E)-5-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one?
(5E)-5-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one has a molecular weight of 360.52 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 5455888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).