CAS 306935-19-3|N'-Hydroxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzenecarboximidamide|N'-hydroxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzene-1-carboximidamide|N'-hydroxy-4-[(2-methyl-1,3-thiazol...

General Information

Structure

Molecular Formula

C₁₂H₁₃N₃O₂S

Molecular Mass

263.31552

Exact Mass

263.07284767

Charge

InChI

InChI=1S/C12H13N3O2S/c1-8-14-10(7-18-8)6-17-11-4-2-9(3-5-11)12(13)15-16/h2-5,7,16H,6H2,1H3,(H2,13,15)

InChIKey

QHRPKGPTUYZTBY-UHFFFAOYSA-N

Canonic Smiles

O/N=C(/c1ccc(cc1)OCc1csc(n1)C)\N

Isomeric Smiles

O(c1ccc(cc1)/C(=N/O)/N)Cc1csc(n1)C

Calculated Properties

JChem

Acid pKa

9.459311

H Acceptors

H Donor

LogD (pH = 5.5)

1.0911113

LogD (pH = 7.4)

1.3116226

Log P

1.3206638

Molar Refractivity

69.2829

Polarizability

26.389282

Polar Surface Area

80.73

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

N'-Hydroxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzenecarboximidamide4-(2-Methylthiazol-4-ylmethoxy)benzamidoxime

IUPAC name

N'-hydroxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzene-1-carboximidamide (Z)-N'-hydroxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzene-1-carboximidamide

IUPAC Traditional name

N'-hydroxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzenecarboximidamide (Z)-N'-hydroxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzene-1-carboximidamide

Names and Identifiers

Registration numbers

PubChem CID

PubChem SID

CAS Number

MDL Number

Registration numbers

Properties