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

C21H23N3OS — CID 135766048

IUPAC(5Z)-2-[4-(diethylamino)phenyl]imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCCN(CC)c1ccc(/N=C2\NC(=O)/C(=C/c3ccc(C)cc3)S2)cc1
InChIInChI=1S/C21H23N3OS/c1-4-24(5-2)18-12-10-17(11-13-18)22-21-23-20(25)19(26-21)14-16-8-6-15(3)7-9-16/h6-14H,4-5H2,1-3H3,(H,22,23,25)/b19-14-
InChIKeyQIBUVXXCDBQEHX-RGEXLXHISA-N
MW365.50 g/mol
LogP4.73
Rot. Bonds5

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

(5Z)-2-[4-(diethylamino)phenyl]imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135766048) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is (5Z)-2-[4-(diethylamino)phenyl]imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-[4-(diethylamino)phenyl]imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135766048
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC Name(5Z)-2-[4-(diethylamino)phenyl]imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCCN(CC)c1ccc(/N=C2\NC(=O)/C(=C/c3ccc(C)cc3)S2)cc1
InChIInChI=1S/C21H23N3OS/c1-4-24(5-2)18-12-10-17(11-13-18)22-21-23-20(25)19(26-21)14-16-8-6-15(3)7-9-16/h6-14H,4-5H2,1-3H3,(H,22,23,25)/b19-14-
InChIKeyQIBUVXXCDBQEHX-RGEXLXHISA-N
XLogP4.73
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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)-5-benzylidene-2-[4-(diethylamino)phenyl]imino-1,3-thiazolidin-4-one
CID 135766043
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135403926
(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-(4-nitrophenyl)imino-1,3-thiazolidin-4-one
CID 137165869
methyl 4-[[(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 137166137
5-(1,3-benzodioxol-5-ylmethylidene)-2-[4-(diethylamino)phenyl]imino-1,3-thiazolidin-4-one
CID 135523441
(5E)-5-[[3-bromo-4-(diethylamino)phenyl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137080227
(5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-hydroxyimino-1,3-thiazolidin-4-one
CID 137239593
(5E)-5-[(4-chlorophenyl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135404507
2-[4-(diethylamino)phenyl]imino-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135523257
(5E)-2-[4-(diethylamino)phenyl]imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 135563100
2-(4-methylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
CID 135461464
(5E)-2-(4-methylphenyl)imino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137080237

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-[4-(diethylamino)phenyl]imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-[4-(diethylamino)phenyl]imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one (CID 135766048) is (5Z)-2-[4-(diethylamino)phenyl]imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-[4-(diethylamino)phenyl]imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-[4-(diethylamino)phenyl]imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one is CCN(CC)c1ccc(/N=C2\NC(=O)/C(=C/c3ccc(C)cc3)S2)cc1.
What is the InChIKey of (5Z)-2-[4-(diethylamino)phenyl]imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is QIBUVXXCDBQEHX-RGEXLXHISA-N. The full InChI is InChI=1S/C21H23N3OS/c1-4-24(5-2)18-12-10-17(11-13-18)22-21-23-20(25)19(26-21)14-16-8-6-15(3)7-9-16/h6-14H,4-5H2,1-3H3,(H,22,23,25)/b19-14-.
What are the key properties of (5Z)-2-[4-(diethylamino)phenyl]imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-[4-(diethylamino)phenyl]imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 365.50 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-[4-(diethylamino)phenyl]imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135766048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).