CAS 26907-54-0|2-Amino-5-(4-methylphenyl)-1,3,4-thiadiazole|5-(4-Methylphenyl)-1,3,4-thiadiazol-2-amine|5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine|5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine|5-(p-T...

General Information

Structure

Molecular Formula

C₉H₉N₃S

Molecular Mass

191.25286

Exact Mass

191.0517183

Charge

InChI

InChI=1S/C9H9N3S/c1-6-2-4-7(5-3-6)8-11-12-9(10)13-8/h2-5H,1H3,(H2,10,12)

InChIKey

ZLDPCNCAFSBFCX-UHFFFAOYSA-N

Canonic Smiles

Cc1ccc(cc1)c1nnc(s1)N

Isomeric Smiles

s1c(nnc1N)c1ccc(cc1)C

Calculated Properties

JChem

Acid pKa

14.901121

H Acceptors

H Donor

LogD (pH = 5.5)

2.1418004

LogD (pH = 7.4)

2.1418076

Log P

2.1418076

Molar Refractivity

65.7057

Polarizability

20.407272

Polar Surface Area

51.8

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

Synonyms

2-Amino-5-(4-methylphenyl)-1,3,4-thiadiazole5-(4-Methylphenyl)-1,3,4-thiadiazol-2-amine5-(p-Tolyl)-1,3,4-thiadiazol-2-amine2-Amino-5-(p-tolyl)-1,3,4-thiadiazole5-(对甲苯基)-1,3,4-噻二唑-2-胺2-Amino-5-(4-methylphenyl)-1,3,4-thiadiazole2-氨基-5-(4-甲氧苯基)-1,3,4-噻二唑2-氨基-5-(对甲苯基)-1,3,4-噻二唑5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine

IUPAC name

5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine

IUPAC Traditional name

5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine

Names and Identifiers

Registration numbers

CAS Number

26907-54-0

MDL Number

MFCD00469688

PubChem SID

24884643162041848