1-[2-(2,6-dichloro-4-pyridyl)-1,3-thiazol-4-yl]ethan-1-one 1-(2,6-dichlorophenyl)hydrazone|2,6-dichloro-4-(4-{1-[2-(2,6-dichlorophenyl)hydrazin-1-ylidene]ethyl}-1,3-thiazol-2-yl)pyridine|2,6-dichlor...

General Information

Structure

Molecular Formula

C₁₆H₁₀Cl₄N₄S

Molecular Mass

432.1544

Exact Mass

429.93802806

Charge

InChI

InChI=1S/C16H10Cl4N4S/c1-8(23-24-15-10(17)3-2-4-11(15)18)12-7-25-16(21-12)9-5-13(19)22-14(20)6-9/h2-7,24H,1H3

InChIKey

KCPAPQBDSHWSBJ-UHFFFAOYSA-N

Canonic Smiles

Clc1nc(Cl)cc(c1)c1scc(n1)/C(=N/Nc1c(Cl)cccc1Cl)/C

Isomeric Smiles

n1c(c2cc(nc(c2)Cl)Cl)scc1/C(=N/Nc1c(cccc1Cl)Cl)/C

Calculated Properties

JChem

Acid pKa

12.586215

H Acceptors

H Donor

LogD (pH = 5.5)

6.3535585

LogD (pH = 7.4)

6.3539047

Log P

6.354032

Molar Refractivity

117.3214

Polarizability

40.355434

Polar Surface Area

50.17

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

Synonyms

1-[2-(2,6-dichloro-4-pyridyl)-1,3-thiazol-4-yl]ethan-1-one 1-(2,6-dichlorophenyl)hydrazone

IUPAC Traditional name

2,6-dichloro-4-(4-{1-[2-(2,6-dichlorophenyl)hydrazin-1-ylidene]ethyl}-1,3-thiazol-2-yl)pyridine

IUPAC name

2,6-dichloro-4-(4-{1-[2-(2,6-dichlorophenyl)hydrazin-1-ylidene]ethyl}-1,3-thiazol-2-yl)pyridine

Names and Identifiers

Registration numbers

PubChem CID

5917485

PubChem SID

162073716

MDL Number

MFCD00203776

Registration numbers

Properties

No Data Available

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Related Proteins

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Molecular Spectra

Molecule Details

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References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Molecule

ID:86600