(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-ethyl-2-(2-hydroxy-4-methylphenyl)imino-1,3-thiazolidin-4-one

C21H23N3O2S — CID 27434778

IUPAC(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-ethyl-2-(2-hydroxy-4-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)S/C1=N/c1ccc(C)cc1O
InChIInChI=1S/C21H23N3O2S/c1-5-24-20(26)19(13-15-7-9-16(10-8-15)23(3)4)27-21(24)22-17-11-6-14(2)12-18(17)25/h6-13,25H,5H2,1-4H3/b19-13-,22-21+
InChIKeyLYYKXAAFSDIERW-GWSFVKJMSA-N
MW381.50 g/mol
LogP4.39
Rot. Bonds4

About (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-ethyl-2-(2-hydroxy-4-methylphenyl)imino-1,3-thiazolidin-4-one

(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-ethyl-2-(2-hydroxy-4-methylphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 27434778) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-ethyl-2-(2-hydroxy-4-methylphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-ethyl-2-(2-hydroxy-4-methylphenyl)imino-1,3-thiazolidin-4-one
PubChem CID27434778
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-ethyl-2-(2-hydroxy-4-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)S/C1=N/c1ccc(C)cc1O
InChIInChI=1S/C21H23N3O2S/c1-5-24-20(26)19(13-15-7-9-16(10-8-15)23(3)4)27-21(24)22-17-11-6-14(2)12-18(17)25/h6-13,25H,5H2,1-4H3/b19-13-,22-21+
InChIKeyLYYKXAAFSDIERW-GWSFVKJMSA-N
XLogP4.39
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-3-ethyl-2-(2-hydroxy-4-methylphenyl)imino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 27434731
(5Z)-3-ethyl-2-(2-hydroxy-4-methylphenyl)imino-5-(1H-pyrrol-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 27408622
(5Z)-2-(2-hydroxy-4-methylphenyl)imino-5-[(4-propan-2-ylphenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 27433958
(5E)-3-ethyl-2-(2-fluorophenyl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 9485732
(2E,5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-ethyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841894
(5Z)-3-ethyl-2-(2-hydroxy-4-methylphenyl)imino-5-[[2-(2-oxopentan-3-yloxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 43861421
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one
CID 6367517
(5E)-5-[(4-bromophenyl)methylidene]-3-ethyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 9484611
(5E)-3-ethyl-2-(4-fluorophenyl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 126253124
5-[[4-(dimethylamino)phenyl]methylidene]-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 1307443
(5Z)-2-(2-hydroxy-4-methylphenyl)imino-5-[(2-methylphenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 27433952
2-[[(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]-5-hydroxybenzoic acid
CID 27430409

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-ethyl-2-(2-hydroxy-4-methylphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-ethyl-2-(2-hydroxy-4-methylphenyl)imino-1,3-thiazolidin-4-one (CID 27434778) is (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-ethyl-2-(2-hydroxy-4-methylphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-ethyl-2-(2-hydroxy-4-methylphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-ethyl-2-(2-hydroxy-4-methylphenyl)imino-1,3-thiazolidin-4-one is CCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)S/C1=N/c1ccc(C)cc1O.
What is the InChIKey of (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-ethyl-2-(2-hydroxy-4-methylphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is LYYKXAAFSDIERW-GWSFVKJMSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-5-24-20(26)19(13-15-7-9-16(10-8-15)23(3)4)27-21(24)22-17-11-6-14(2)12-18(17)25/h6-13,25H,5H2,1-4H3/b19-13-,22-21+.
What are the key properties of (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-ethyl-2-(2-hydroxy-4-methylphenyl)imino-1,3-thiazolidin-4-one?
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-ethyl-2-(2-hydroxy-4-methylphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 381.50 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-ethyl-2-(2-hydroxy-4-methylphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 27434778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).