CAS 2103-99-3|4-(4-chlorophenyl)-1,3-thiazol-2-amine|4-(4-chlorophenyl)-1,3-thiazol-2-amine|4-(4-Chlorophenyl)-1,3-thiazol-2-amine|4-(4-chlorophenyl)thiazol-2-amine|2-氨基-4-(4-氯苯基)噻唑|2-Amino-4...

General Information

Structure

Molecular Formula

C₉H₇ClN₂S

Molecular Mass

210.68328

Exact Mass

210.00184691

Charge

InChI

InChI=1S/C9H7ClN2S/c10-7-3-1-6(2-4-7)8-5-13-9(11)12-8/h1-5H,(H2,11,12)

InChIKey

DWGWNNCHJPKZNC-UHFFFAOYSA-N

Canonic Smiles

Clc1ccc(cc1)c1csc(n1)N

Isomeric Smiles

n1c(scc1c1ccc(cc1)Cl)N

Calculated Properties

JChem

Acid pKa

16.703558

H Acceptors

H Donor

LogD (pH = 5.5)

3.1089902

LogD (pH = 7.4)

3.1242843

Log P

3.124483

Molar Refractivity

55.0091

Polarizability

22.039587

Polar Surface Area

38.91

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

4-(4-chlorophenyl)-1,3-thiazol-2-amine

IUPAC name

4-(4-chlorophenyl)-1,3-thiazol-2-amine

Synonyms

4-(4-Chlorophenyl)-1,3-thiazol-2-amine4-(4-chlorophenyl)thiazol-2-amine2-氨基-4-(4-氯苯基)噻唑2-Amino-4-(4-chlorophenyl)thiazole4-(4-Chloro-phenyl)-thiazol-2-ylamine4-(4-Chlorophenyl)-2-thiazolamine2-Amino-4-(4-chlorophenyl)thiazole2-AMINO 4(p-CHLORO)PHENYL THIAZOLE

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem SID

Beilstein Number

PubChem CID