CAS 39222-73-6|5-tert-Butyl-[1,3,4]thiadiazol-2-ylamine|5-tert-butyl-1,3,4-thiadiazol-2-amine|5-tert-butyl-1,3,4-thiadiazol-2-amine|5-(tert-butyl)-1,3,4-thiadiazol-2-amine|2-Amino-5-tert-butyl-1,3,4...

General Information

Structure

Molecular Formula

C₆H₁₁N₃S

Molecular Mass

157.23664

Exact Mass

157.06736837

Charge

InChI

InChI=1S/C6H11N3S/c1-6(2,3)4-8-9-5(7)10-4/h1-3H3,(H2,7,9)

InChIKey

ICXDPEFCLDSXLI-UHFFFAOYSA-N

Canonic Smiles

CC(c1nnc(s1)N)(C)C

Isomeric Smiles

s1c(nnc1N)C(C)(C)C

Calculated Properties

JChem

Acid pKa

14.958877

H Acceptors

H Donor

LogD (pH = 5.5)

1.5262002

LogD (pH = 7.4)

1.5262169

Log P

1.5262171

Molar Refractivity

43.706

Polarizability

15.694649

Polar Surface Area

51.8

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

5-tert-butyl-1,3,4-thiadiazol-2-amine

Synonyms

5-tert-Butyl-[1,3,4]thiadiazol-2-ylamine5-(tert-butyl)-1,3,4-thiadiazol-2-amine2-Amino-5-tert-butyl-1,3,4-thiadiazole2-tert-Butyl-5-amino-1,3,4-thiadiazole2-Amino-5-tert-butyl-1,3,4-thiadiazole2-氨基-5-叔丁基-1,3,4-噻二唑(5-tert-Butyl-[1,3,4]thiadiazol-2-yl)amine5-(1,1-Dimethylethyl)-1,3,4-thiadiazol-2-amine

IUPAC Traditional name

5-tert-butyl-1,3,4-thiadiazol-2-amine

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

EC Number