4-(4-chlorophenyl)-2-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-1,3-thiazole|4-(4-chlorophenyl)-2-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-1,3-thiazole|4-(4-chlorophenyl)-2-[(4,5-dichloroimidazol-1-yl)m...

General Information

Structure

Molecular Formula

C₁₃H₈Cl₃N₃S

Molecular Mass

344.64672

Exact Mass

342.95045131

Charge

InChI

InChI=1S/C13H8Cl3N3S/c14-9-3-1-8(2-4-9)10-6-20-11(18-10)5-19-7-17-12(15)13(19)16/h1-4,6-7H,5H2

InChIKey

RXSCLIBLIJSMBW-UHFFFAOYSA-N

Canonic Smiles

Clc1ccc(cc1)c1csc(n1)Cn1cnc(c1Cl)Cl

Isomeric Smiles

n1(c(c(Cl)nc1)Cl)Cc1nc(cs1)c1ccc(cc1)Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.3137236

LogD (pH = 7.4)

4.3152623

Log P

4.315282

Molar Refractivity

83.2985

Polarizability

33.009933

Polar Surface Area

30.71

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

IUPAC Traditional name

4-(4-chlorophenyl)-2-[(4,5-dichloroimidazol-1-yl)methyl]-1,3-thiazole

Synonyms

4-(4-chlorophenyl)-2-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-1,3-thiazole

IUPAC name

4-(4-chlorophenyl)-2-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-1,3-thiazole

Names and Identifiers

Registration numbers

MDL Number

MFCD00106614

PubChem SID

162069520

PubChem CID

2778493

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

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References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

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General Information

Calculated Properties

• RDKit

• JChem

Data Source

• Academic Data

• Commercial Catalog

Names and Identifiers

• IUPAC Traditional name

• Synonyms

• IUPAC name

Registration numbers

• MDL Number

• PubChem SID

• PubChem CID

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:82401