2-[1-(4-methyl-1,3-thiazol-5-yl)ethylidenehydrazinylidene]-1,2-diphenylethanone

C20H17N3OS — CID 126810323

IUPAC2-[1-(4-methyl-1,3-thiazol-5-yl)ethylidenehydrazinylidene]-1,2-diphenylethanone
SMILESCC(=NN=C(C(=O)c1ccccc1)c1ccccc1)c1scnc1C
InChIInChI=1S/C20H17N3OS/c1-14-20(25-13-21-14)15(2)22-23-18(16-9-5-3-6-10-16)19(24)17-11-7-4-8-12-17/h3-13H,1-2H3
InChIKeyPEANPCHIUMDOQQ-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.55
Rot. Bonds5

About 2-[1-(4-methyl-1,3-thiazol-5-yl)ethylidenehydrazinylidene]-1,2-diphenylethanone

2-[1-(4-methyl-1,3-thiazol-5-yl)ethylidenehydrazinylidene]-1,2-diphenylethanone (PubChem CID 126810323) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-[1-(4-methyl-1,3-thiazol-5-yl)ethylidenehydrazinylidene]-1,2-diphenylethanone.

Molecular Properties

Compound Name2-[1-(4-methyl-1,3-thiazol-5-yl)ethylidenehydrazinylidene]-1,2-diphenylethanone
PubChem CID126810323
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name2-[1-(4-methyl-1,3-thiazol-5-yl)ethylidenehydrazinylidene]-1,2-diphenylethanone
SMILESCC(=NN=C(C(=O)c1ccccc1)c1ccccc1)c1scnc1C
InChIInChI=1S/C20H17N3OS/c1-14-20(25-13-21-14)15(2)22-23-18(16-9-5-3-6-10-16)19(24)17-11-7-4-8-12-17/h3-13H,1-2H3
InChIKeyPEANPCHIUMDOQQ-UHFFFAOYSA-N
XLogP4.55
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', '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

(Z)-N-(benzhydrylideneamino)-1-(4-methyl-1,3-thiazol-5-yl)ethanimine
CID 75466690
(2Z)-1,2-diphenyl-2-[(E)-1-pyridin-4-ylethylidenehydrazinylidene]ethanone
CID 50932502
(2Z)-1,2-diphenyl-2-[(Z)-1-pyridin-3-ylethylidenehydrazinylidene]ethanone
CID 6524389
(2Z)-2-[(Z)-1-(5-methylfuran-2-yl)ethylidenehydrazinylidene]-1,2-diphenylethanone
CID 7612621
2-[1-(4-tert-butylphenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone
CID 3524909
2-[(2E)-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylidene]hydrazinyl]benzoic acid
CID 95765462
2-anilino-N-[(E)-1-(4-methyl-1,3-thiazol-5-yl)ethylideneamino]acetamide
CID 97002883
N-[3-[(Z)-C-methyl-N-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]carbonimidoyl]phenyl]acetamide
CID 9074410
2-[3-[(Z)-C-methyl-N-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]carbonimidoyl]phenoxy]acetate
CID 9074352
1,2-diphenylethane-1,2-dione;iron
CID 70488368
[(2E)-2-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]propyl]-triphenylphosphanium;hydrobromide
CID 126958888
(2E)-2-[(E)-1-(4-chloro-3-nitrophenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone
CID 18207176

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methyl-1,3-thiazol-5-yl)ethylidenehydrazinylidene]-1,2-diphenylethanone?
The IUPAC name of 2-[1-(4-methyl-1,3-thiazol-5-yl)ethylidenehydrazinylidene]-1,2-diphenylethanone (CID 126810323) is 2-[1-(4-methyl-1,3-thiazol-5-yl)ethylidenehydrazinylidene]-1,2-diphenylethanone.
What is the SMILES notation for 2-[1-(4-methyl-1,3-thiazol-5-yl)ethylidenehydrazinylidene]-1,2-diphenylethanone?
The canonical SMILES for 2-[1-(4-methyl-1,3-thiazol-5-yl)ethylidenehydrazinylidene]-1,2-diphenylethanone is CC(=NN=C(C(=O)c1ccccc1)c1ccccc1)c1scnc1C.
What is the InChIKey of 2-[1-(4-methyl-1,3-thiazol-5-yl)ethylidenehydrazinylidene]-1,2-diphenylethanone?
The InChIKey is PEANPCHIUMDOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-14-20(25-13-21-14)15(2)22-23-18(16-9-5-3-6-10-16)19(24)17-11-7-4-8-12-17/h3-13H,1-2H3.
What are the key properties of 2-[1-(4-methyl-1,3-thiazol-5-yl)ethylidenehydrazinylidene]-1,2-diphenylethanone?
2-[1-(4-methyl-1,3-thiazol-5-yl)ethylidenehydrazinylidene]-1,2-diphenylethanone has a molecular weight of 347.44 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methyl-1,3-thiazol-5-yl)ethylidenehydrazinylidene]-1,2-diphenylethanone is sourced from PubChem (CID 126810323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).