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

C14H18N4O2S — CID 135684296

IUPAC(2Z)-2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCN(CC)c1ccc(/C=N/N=C2/NC(=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)/b15-8+
InChIKeyUCAXHSYXIWCGTP-OVCLIPMQSA-N
MW306.39 g/mol
LogP1.79
Rot. Bonds5

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

(2Z)-2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135684296) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is (2Z)-2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135684296
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name(2Z)-2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCN(CC)c1ccc(/C=N/N=C2/NC(=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)/b15-8+
InChIKeyUCAXHSYXIWCGTP-OVCLIPMQSA-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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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135684296) is (2Z)-2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is CCN(CC)c1ccc(/C=N/N=C2/NC(=O)CS2)c(O)c1.
What is the InChIKey of (2Z)-2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is UCAXHSYXIWCGTP-OVCLIPMQSA-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)/b15-8+.
What are the key properties of (2Z)-2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-2-[(E)-[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 (2Z)-2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135684296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).