CAS 2933-29-1|CAS 55895-83-5|4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine|4,5,6,7-Tetrahydro-1,3-benzothiazol-2-amine|4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine|4,5,6,7-Tetrahydro-benzothiazol-2-yla...

General Information

Structure

Molecular Formula

C₇H₁₀N₂S

Molecular Mass

154.2327

Exact Mass

154.05646933

Charge

InChI

InChI=1S/C7H10N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H2,(H2,8,9)

InChIKey

SMWAOXCEPHEGFV-UHFFFAOYSA-N

Canonic Smiles

Nc1nc2c(s1)CCCC2

Isomeric Smiles

n1c(sc2c1CCCC2)N

Calculated Properties

JChem

Acid pKa

17.792479

H Acceptors

H Donor

LogD (pH = 5.5)

1.7434683

LogD (pH = 7.4)

1.9426792

Log P

1.9459722

Molar Refractivity

42.4366

Polarizability

15.724993

Polar Surface Area

38.91

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

4,5,6,7-Tetrahydro-1,3-benzothiazol-2-amine4,5,6,7-Tetrahydro-benzothiazol-2-ylamine4,5,6,7-Tetrahydro-benzothiazol-2-ylamine hydrobromide2-Amino-4,5,6,7-tetrahydro-1,3-benzothiazole2-氨基-4,5,6,7-四氢苯并噻唑2-Amino-4,5,6,7-tetrahydrobenzothiazole4,5,6,7-Tetrahydrobenzothiazoyl-2-ylamine4,5,6,7-四氢苯并噻唑-2-胺

IUPAC name

4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

IUPAC Traditional name

4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

Names and Identifiers

Registration numbers

MDL Number

MFCD00022851MFCD00703287

CAS Number

2933-29-155895-83-5

PubChem SID

24885838160976306