2-[[4-(diethylamino)-2-hydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C14H18N4O2S — CID 135463828

IUPAC2-[[4-(diethylamino)-2-hydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCN(CC)c1ccc(C=NN=C2NC(=O)CS2)c(O)c1
InChIInChI=1S/C14H18N4O2S/c1-3-18(4-2)11-6-5-10(12(19)7-11)8-15-17-14-16-13(20)9-21-14/h5-8,19H,3-4,9H2,1-2H3,(H,16,17,20)
InChIKeyUCAXHSYXIWCGTP-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.79
Rot. Bonds5

About 2-[[4-(diethylamino)-2-hydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[[4-(diethylamino)-2-hydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135463828) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-[[4-(diethylamino)-2-hydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[[4-(diethylamino)-2-hydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135463828
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name2-[[4-(diethylamino)-2-hydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCN(CC)c1ccc(C=NN=C2NC(=O)CS2)c(O)c1
InChIInChI=1S/C14H18N4O2S/c1-3-18(4-2)11-6-5-10(12(19)7-11)8-15-17-14-16-13(20)9-21-14/h5-8,19H,3-4,9H2,1-2H3,(H,16,17,20)
InChIKeyUCAXHSYXIWCGTP-UHFFFAOYSA-N
XLogP1.79
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]guanidine
CID 135433199
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 135615683
2-[[4-(Diethylamino)-2-hydroxyphenyl]methylideneamino]guanidine
CID 2341750
acetonitrile;N-[(Z)-1,2-dicyano-2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]ethenyl]acetamide
CID 139205666
(e)-3-((4-(Diethylamino)-2-hydroxybenzylidene) amino)-2,3-dihydrothiophene-2-carboxamide
CID 156613223
5-(Diethylamino)-2-[[4-(4-fluorophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135704144
5-(Diethylamino)-2-[[4-(4-fluorophenyl)-2-(2-methylprop-2-enylimino)-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135813417
5-{[4-(Diethylamino)-2-hydroxyphenyl]methylene}-1,3-thiazolidine-2,4-dione
CID 18529943
2-[(2E)-2-[(2E)-2-{[4-(Diethylamino)-2-hydroxyphenyl]methylidene}hydrazin-1-ylidene]-4-oxo-1,3-thiazolidin-5-YL]acetic acid
CID 135800059
(2E)-2-{(2E)-[4-(diethylamino)-2-hydroxybenzylidene]hydrazinylidene}-1,3-thiazolidin-4-one
CID 135628903
(2Z)-2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135684296
2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137179471

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(diethylamino)-2-hydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[[4-(diethylamino)-2-hydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135463828) is 2-[[4-(diethylamino)-2-hydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[[4-(diethylamino)-2-hydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[[4-(diethylamino)-2-hydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is CCN(CC)c1ccc(C=NN=C2NC(=O)CS2)c(O)c1.
What is the InChIKey of 2-[[4-(diethylamino)-2-hydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is UCAXHSYXIWCGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-3-18(4-2)11-6-5-10(12(19)7-11)8-15-17-14-16-13(20)9-21-14/h5-8,19H,3-4,9H2,1-2H3,(H,16,17,20).
What are the key properties of 2-[[4-(diethylamino)-2-hydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[[4-(diethylamino)-2-hydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 306.39 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(diethylamino)-2-hydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135463828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).