Name: Name:2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetonitrile
Brand: Angene
SKU: AG019GVA
Rating: 90 (10 reviews)

2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetonitrile

CAS No.:

380348-77-6

Catalog Number:

AG019GVA

Molecular Formula:

C13H12N2O2S

Molecular Weight:

260.3116

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Product Description

Catalog Number:

AG019GVA

Chemical Name:

2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetonitrile

CAS Number:

380348-77-6

Molecular Formula:

C13H12N2O2S

Molecular Weight:

260.3116

MDL Number:

MFCD03150296

IUPAC Name:

2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetonitrile

InChI:

InChI=1S/C13H12N2O2S/c1-16-11-4-3-9(7-12(11)17-2)10-8-18-13(15-10)5-6-14/h3-4,7-8H,5H2,1-2H3

InChI Key:

NQABLEQOUYIUJC-UHFFFAOYSA-N

SMILES:

N#CCc1scc(n1)c1ccc(c(c1)OC)OC

Properties

Complexity:

317

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

260.062g/mol

Formal Charge:

Heavy Atom Count:

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Isotope Atom Count:

Molecular Weight:

260.311g/mol

Monoisotopic Mass:

260.062g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101

Properties