CAS 4005-51-0|1,3,4-thiadiazol-2-amine|2-amino-1,3,4-thiadiazole|[1,3,4]Thiadiazol-2-ylamine|1,3,4-Thiadiazol-2-amine|2-Amino-1,3,4-thiadiazole|1,3,4-thiadiazol-2-amine|1,3,4-Thiadiazol-2-ylamine|2-...

General Information

Structure

Molecular Formula

C₂H₃N₃S

Molecular Mass

101.13032

Exact Mass

101.00476811

Charge

InChI

InChI=1S/C2H3N3S/c3-2-5-4-1-6-2/h1H,(H2,3,5)

InChIKey

QUKGLNCXGVWCJX-UHFFFAOYSA-N

Canonic Smiles

Nc1nncs1

Isomeric Smiles

n1nc(sc1)N

Calculated Properties

JChem

Acid pKa

14.255751

H Acceptors

H Donor

LogD (pH = 5.5)

-0.39639145

LogD (pH = 7.4)

-0.3963842

Log P

-0.39638406

Molar Refractivity

25.5629

Polarizability

8.499011

Polar Surface Area

51.8

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

1,3,4-thiadiazol-2-amine

IUPAC Traditional name

2-amino-1,3,4-thiadiazole

Synonyms

[1,3,4]Thiadiazol-2-ylamine1,3,4-Thiadiazol-2-amine2-Amino-1,3,4-thiadiazole1,3,4-thiadiazol-2-amineAminothiadiazole2-氨基-1,3,4-噻二唑TF 1282-Amino-1,3,4-thiadiazole5-Amino-1,3,4-thiadiazole1,3,4-Thiadiazol-2-ylamine2-AminothiadiazoleNSC 47281,3,4-Thiadiazole-2-amine1,3,4-噻二唑-2-胺

Names and Identifiers

Registration numbers

PubChem CID

PubChem SID

MDL Number

Beilstein Number

CAS Number