(2E,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one

C20H17N3OS — CID 135750886

IUPAC(2E,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one
SMILESCC[C@@H]1S/C(=N/N=C\c2c3ccccc3cc3ccccc23)NC1=O
InChIInChI=1S/C20H17N3OS/c1-2-18-19(24)22-20(25-18)23-21-12-17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17/h3-12,18H,2H2,1H3,(H,22,23,24)/b21-12-/t18-/m0/s1
InChIKeyAGUYRBQUTLKJCE-UMUMUWHJSA-N
MW347.44 g/mol
LogP4.32
Rot. Bonds3

About (2E,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one

(2E,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one (PubChem CID 135750886) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is (2E,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one
PubChem CID135750886
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name(2E,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one
SMILESCC[C@@H]1S/C(=N/N=C\c2c3ccccc3cc3ccccc23)NC1=O
InChIInChI=1S/C20H17N3OS/c1-2-18-19(24)22-20(25-18)23-21-12-17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17/h3-12,18H,2H2,1H3,(H,22,23,24)/b21-12-/t18-/m0/s1
InChIKeyAGUYRBQUTLKJCE-UMUMUWHJSA-N
XLogP4.32
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze (2E,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-propyl-1,3-thiazolidin-4-one
CID 135852394
(2E)-2-[(E)-anthracen-9-ylmethylidenehydrazinylidene]-5-propyl-1,3-thiazolidin-4-one
CID 136722471
5-ethyl-2-(naphthalen-1-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135447174
(2Z,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135916192
5-butyl-2-[(E)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 172936341
(2Z)-5-ethyl-2-[(E)-[2-(4-nitrophenyl)-1H-indol-3-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 155560979
5-ethyl-2-[(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135476302
(NE)-N-(5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)naphthalene-1-sulfinamide
CID 145316942
(2Z,5S)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one
CID 135852398
[3-[(Z)-[(E)-[(5S)-5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]phenyl] benzenesulfonate
CID 135852385
5-ethyl-2-[(Z)-2-phenylsulfanylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136871961
(2E,5S)-5-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135780022

Frequently Asked Questions

What is the IUPAC name of (2E,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one (CID 135750886) is (2E,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one is CC[C@@H]1S/C(=N/N=C\c2c3ccccc3cc3ccccc23)NC1=O.
What is the InChIKey of (2E,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one?
The InChIKey is AGUYRBQUTLKJCE-UMUMUWHJSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-2-18-19(24)22-20(25-18)23-21-12-17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17/h3-12,18H,2H2,1H3,(H,22,23,24)/b21-12-/t18-/m0/s1.
What are the key properties of (2E,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one?
(2E,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one has a molecular weight of 347.44 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135750886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).