2-chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide|2-Chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide|2-[(Chloroacetyl)amino]-4-(2-chlorophenyl)-1,3-thiazole|2-chloro-N-[4-(2-chlorophe...

General Information

Structure

Molecular Formula

C₁₁H₈Cl₂N₂OS

Molecular Mass

287.16502

Exact Mass

285.97343925

Charge

InChI

InChI=1S/C11H8Cl2N2OS/c12-5-10(16)15-11-14-9(6-17-11)7-3-1-2-4-8(7)13/h1-4,6H,5H2,(H,14,15,16)

InChIKey

SUXNSQAXQWMICL-UHFFFAOYSA-N

Canonic Smiles

ClCC(=O)Nc1scc(n1)c1ccccc1Cl

Isomeric Smiles

n1c(NC(=O)CCl)scc1c1c(Cl)cccc1

Calculated Properties

JChem

Acid pKa

10.590167

H Acceptors

H Donor

LogD (pH = 5.5)

3.7284596

LogD (pH = 7.4)

3.7281969

Log P

3.7284632

Molar Refractivity

69.9249

Polarizability

27.687176

Polar Surface Area

41.99

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

2-Chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide2-[(Chloroacetyl)amino]-4-(2-chlorophenyl)-1,3-thiazole2-Chloro-N-[4-(2-chloro-phenyl)-thiazol-2-yl]-acetamide2-Chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-acetamide2-chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide

IUPAC name

2-chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide

IUPAC Traditional name

2-chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide

Names and Identifiers

Registration numbers

MDL Number

MFCD01315353

PubChem SID

162046403

PubChem CID

1479320