(5Z)-3-ethyl-2-ethylimino-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one

C19H25N3O2S — CID 2187656

IUPAC(5Z)-3-ethyl-2-ethylimino-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCC/N=C1/S/C(=C\c2ccc(N3CCOCC3)cc2C)C(=O)N1CC
InChIInChI=1S/C19H25N3O2S/c1-4-20-19-22(5-2)18(23)17(25-19)13-15-6-7-16(12-14(15)3)21-8-10-24-11-9-21/h6-7,12-13H,4-5,8-11H2,1-3H3/b17-13-,20-19+
InChIKeyTUEKESDIBHUJCX-CAUPHXMNSA-N
MW359.50 g/mol
LogP3.14
Rot. Bonds4

About (5Z)-3-ethyl-2-ethylimino-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one

(5Z)-3-ethyl-2-ethylimino-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 2187656) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is (5Z)-3-ethyl-2-ethylimino-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-ethyl-2-ethylimino-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID2187656
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name(5Z)-3-ethyl-2-ethylimino-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCC/N=C1/S/C(=C\c2ccc(N3CCOCC3)cc2C)C(=O)N1CC
InChIInChI=1S/C19H25N3O2S/c1-4-20-19-22(5-2)18(23)17(25-19)13-15-6-7-16(12-14(15)3)21-8-10-24-11-9-21/h6-7,12-13H,4-5,8-11H2,1-3H3/b17-13-,20-19+
InChIKeyTUEKESDIBHUJCX-CAUPHXMNSA-N
XLogP3.14
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-ethyl-2-ethylimino-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-ethyl-2-ethylimino-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one (CID 2187656) is (5Z)-3-ethyl-2-ethylimino-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-ethyl-2-ethylimino-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-ethyl-2-ethylimino-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one is CC/N=C1/S/C(=C\c2ccc(N3CCOCC3)cc2C)C(=O)N1CC.
What is the InChIKey of (5Z)-3-ethyl-2-ethylimino-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is TUEKESDIBHUJCX-CAUPHXMNSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-4-20-19-22(5-2)18(23)17(25-19)13-15-6-7-16(12-14(15)3)21-8-10-24-11-9-21/h6-7,12-13H,4-5,8-11H2,1-3H3/b17-13-,20-19+.
What are the key properties of (5Z)-3-ethyl-2-ethylimino-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-3-ethyl-2-ethylimino-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 359.50 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-ethyl-2-ethylimino-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 2187656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).