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

C14H18N4O2S — CID 137179471

IUPAC2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCN(CC)c1ccc(/C=N/N=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)/b15-8+
InChIKeyUCAXHSYXIWCGTP-OVCLIPMQSA-N
MW306.39 g/mol
LogP1.79
Rot. Bonds5

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

2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 137179471) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID137179471
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCN(CC)c1ccc(/C=N/N=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)/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 2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 137179471) is 2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is CCN(CC)c1ccc(/C=N/N=C2NC(=O)CS2)c(O)c1.
What is the InChIKey of 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 2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
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 2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137179471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).