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

C22H25N3O2S — CID 136844847

IUPAC(5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-2-(3,5-dimethylphenyl)imino-1,3-thiazolidin-4-one
SMILESCCN(CC)c1ccc(/C=C2\S/C(=N/c3cc(C)cc(C)c3)NC2=O)c(O)c1
InChIInChI=1S/C22H25N3O2S/c1-5-25(6-2)18-8-7-16(19(26)13-18)12-20-21(27)24-22(28-20)23-17-10-14(3)9-15(4)11-17/h7-13,26H,5-6H2,1-4H3,(H,23,24,27)/b20-12-
InChIKeyGGRZFPPGAOEGKW-NDENLUEZSA-N
MW395.53 g/mol
LogP4.75
Rot. Bonds5

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

(5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-2-(3,5-dimethylphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 136844847) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is (5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-2-(3,5-dimethylphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-2-(3,5-dimethylphenyl)imino-1,3-thiazolidin-4-one
PubChem CID136844847
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC Name(5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-2-(3,5-dimethylphenyl)imino-1,3-thiazolidin-4-one
SMILESCCN(CC)c1ccc(/C=C2\S/C(=N/c3cc(C)cc(C)c3)NC2=O)c(O)c1
InChIInChI=1S/C22H25N3O2S/c1-5-25(6-2)18-8-7-16(19(26)13-18)12-20-21(27)24-22(28-20)23-17-10-14(3)9-15(4)11-17/h7-13,26H,5-6H2,1-4H3,(H,23,24,27)/b20-12-
InChIKeyGGRZFPPGAOEGKW-NDENLUEZSA-N
XLogP4.75
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.75
H-Bond Donors ≤ 52
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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Related Compounds

(5Z)-2-(3,5-dimethylphenyl)imino-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135810389
5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 4614020
(5Z)-2-[4-(diethylamino)phenyl]imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135766048
ethyl 4-[[5-[[4-(diethylamino)-2-methoxyphenyl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 135478628
2-[4-(diethylamino)phenyl]imino-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135523257
2-(3,5-dimethylphenyl)imino-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135527338
(5Z)-5-[(4-ethoxy-2-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135700421
(5Z)-5-benzylidene-2-[4-(diethylamino)phenyl]imino-1,3-thiazolidin-4-one
CID 135766043
(5E)-2-[4-(diethylamino)phenyl]imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 135563100
(5Z)-5-[[4-(diethylamino)-2-[(4-iodophenyl)methoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 137138140
(5Z)-5-[(2,4-dihydroxyphenyl)methylidene]-2-ethylimino-1,3-thiazolidin-4-one
CID 137165796
(5Z)-5-[(4-chlorophenyl)methylidene]-2-(3,5-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135957458

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-2-(3,5-dimethylphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-2-(3,5-dimethylphenyl)imino-1,3-thiazolidin-4-one (CID 136844847) is (5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-2-(3,5-dimethylphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-2-(3,5-dimethylphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-2-(3,5-dimethylphenyl)imino-1,3-thiazolidin-4-one is CCN(CC)c1ccc(/C=C2\S/C(=N/c3cc(C)cc(C)c3)NC2=O)c(O)c1.
What is the InChIKey of (5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-2-(3,5-dimethylphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is GGRZFPPGAOEGKW-NDENLUEZSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-5-25(6-2)18-8-7-16(19(26)13-18)12-20-21(27)24-22(28-20)23-17-10-14(3)9-15(4)11-17/h7-13,26H,5-6H2,1-4H3,(H,23,24,27)/b20-12-.
What are the key properties of (5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-2-(3,5-dimethylphenyl)imino-1,3-thiazolidin-4-one?
(5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-2-(3,5-dimethylphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 395.53 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-2-(3,5-dimethylphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 136844847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).