(2E)-3-ethyl-2-[(Z)-1-(4-phenylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one

C19H19N3OS — CID 6342991

IUPAC(2E)-3-ethyl-2-[(Z)-1-(4-phenylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCN1C(=O)CS/C1=N/N=C(/C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H19N3OS/c1-3-22-18(23)13-24-19(22)21-20-14(2)15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12H,3,13H2,1-2H3/b20-14-,21-19+
InChIKeySCLXNPBCMDHVQZ-ZSTRDAJGSA-N
MW337.45 g/mol
LogP4.03
Rot. Bonds4

About (2E)-3-ethyl-2-[(Z)-1-(4-phenylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2E)-3-ethyl-2-[(Z)-1-(4-phenylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 6342991) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is (2E)-3-ethyl-2-[(Z)-1-(4-phenylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-3-ethyl-2-[(Z)-1-(4-phenylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID6342991
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name(2E)-3-ethyl-2-[(Z)-1-(4-phenylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCN1C(=O)CS/C1=N/N=C(/C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H19N3OS/c1-3-22-18(23)13-24-19(22)21-20-14(2)15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12H,3,13H2,1-2H3/b20-14-,21-19+
InChIKeySCLXNPBCMDHVQZ-ZSTRDAJGSA-N
XLogP4.03
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.03
H-Bond Donors ≤ 50
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'}

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Related Compounds

(2E)-3-benzyl-2-(cyclohexylidenehydrazono)thiazolidin-4-one
CID 118713900
(2E)-3-benzyl-2-[(Z)-(2-methylcyclohexylidene)hydrazono]thiazolidin-4-one
CID 118713901
(2E)-3-benzyl-2-[(Z)-(3-methylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 118713902
(2E)-3-benzyl-2-[(4-methylcyclohexylidene)hydrazono]thiazolidin-4-one
CID 118713903
(2E)-3-benzyl-2-[(Z)-(2-tert-butylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 118713904
(2E)-3-benzyl-2-[(Z)-1-cyclohexylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 118713907
(2E)-3-benzyl-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 118713910
(2E)-3-benzyl-2-[(Z)-octan-2-ylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 118714712
4H-Thiazolo(2,3-c)-as-triazine-6-one, 6,7-dihydro-3,4-diphenyl-
CID 3043861
4H-Thiazolo(2,3-c)-as-triazine-6-one, 6,7-dihydro-3,4-diphenyl-, hydrochloride
CID 3043867
2-(2-(1-(1,2,3,4-Tetrahydronaphthalen-6-yl)ethylidene) hydrazono)-3-acetylthiazolidin-4-one
CID 129883674
5-(4-methylphenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine
CID 139225341

Frequently Asked Questions

What is the IUPAC name of (2E)-3-ethyl-2-[(Z)-1-(4-phenylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-3-ethyl-2-[(Z)-1-(4-phenylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 6342991) is (2E)-3-ethyl-2-[(Z)-1-(4-phenylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-3-ethyl-2-[(Z)-1-(4-phenylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-3-ethyl-2-[(Z)-1-(4-phenylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one is CCN1C(=O)CS/C1=N/N=C(/C)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2E)-3-ethyl-2-[(Z)-1-(4-phenylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is SCLXNPBCMDHVQZ-ZSTRDAJGSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-3-22-18(23)13-24-19(22)21-20-14(2)15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12H,3,13H2,1-2H3/b20-14-,21-19+.
What are the key properties of (2E)-3-ethyl-2-[(Z)-1-(4-phenylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-3-ethyl-2-[(Z)-1-(4-phenylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 337.45 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-ethyl-2-[(Z)-1-(4-phenylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 6342991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).