CAS 1779-81-3|2-aminothiazoline|2-Aminothiazoline|4,5-dihydro-1,3-thiazol-2-amine|2-Amino-2-thiazoline|2-Amino-4,5-dihydro-1,3-thiazole|2-Amino-2-thiazoline|2-Thiazolin-2-amine|2-Amino-2-thiazoline|...

General Information

Structure

Molecular Formula

C₃H₆N₂S

Molecular Mass

102.15814

Exact Mass

102.0251692

Charge

InChI

InChI=1S/C3H6N2S/c4-3-5-1-2-6-3/h1-2H2,(H2,4,5)

InChIKey

REGFWZVTTFGQOJ-UHFFFAOYSA-N

Canonic Smiles

NC1=NCCS1

Isomeric Smiles

NC1=NCCS1

Calculated Properties

JChem

LogD (pH = 7.4)

-2.21

LogD (pH = 5.5)

-2.21

Log P

0.21

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

11.90

Polar Surface Area

38.38

Polarizability

10.08

Molar Refractivity

27.70

LOG S

-0.84

Data Source

Names and Identifiers

IUPAC Traditional name

2-aminothiazoline

Synonyms

2-Aminothiazoline2-Amino-2-thiazoline2-Amino-4,5-dihydro-1,3-thiazole2-Amino-2-thiazoline2-Thiazolin-2-amine2-Amino-2-thiazoline2-氨基-2-噻唑啉2-噻唑啉-2-胺4,5-dihydrothiazol-2-amine2-Aminothiazoline2-Thiazolidinimine4,5-Dihydro-2-thiazolamine4,5-Dihydrothiazol-2-amine2-Iminothiazolidine2-Amino-Δ2-thiazoline2-Amino-4,5-dihydrothiazole2-Imino-thiazolidine2-Amino-4,5-dihydro-1,3-thiazole4,5-Dihydro-2-thiazolamine2-amino-Delta(2)-thiazoline2-Amino-2-thiazoline2-Amino-4,5-dihydrothiazole2-Amino-4,5-dihydrothiazoline2-AMINOTHIAZOLINE4,5-dihydro-1,3-thiazol-2-amine2-Iminothiazolidine

IUPAC name

4,5-dihydro-1,3-thiazol-2-amine

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem CID

Beilstein Number