CAS 100817-90-1 | Acetamide, N-(6-methoxy-2-benzothiazolyl)- | CAS Number 100817-90-1

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100817-90-1 | Acetamide, N-(6-methoxy-2-benzothiazolyl)-

CAS No: 100817-90-1 Catalog No: AG0002YP MDL No:

Product Description

Catalog Number:

AG0002YP

Chemical Name:

Acetamide, N-(6-methoxy-2-benzothiazolyl)-

CAS Number:

100817-90-1

Molecular Formula:

C10H10N2O2S

Molecular Weight:

222.2636

IUPAC Name:

N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

InChI:

InChI=1S/C10H10N2O2S/c1-6(13)11-10-12-8-4-3-7(14-2)5-9(8)15-10/h3-5H,1-2H3,(H,11,12,13)

InChI Key:

ZLUZZGHIYZIXRE-UHFFFAOYSA-N

SMILES:

COc1ccc2c(c1)sc(n2)NC(=O)C

Properties

Complexity:

250

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

222.046g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

222.262g/mol

Monoisotopic Mass:

222.046g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

79.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501