Name: Name:2-[5-(2-amino-1,3-thiazol-4-yl)-2-methoxyphenyl]acetonitrile
Brand: Angene
SKU: AG019ORC
Rating: 90 (10 reviews)

2-[5-(2-amino-1,3-thiazol-4-yl)-2-methoxyphenyl]acetonitrile

CAS No.:

871673-04-0

Catalog Number:

AG019ORC

Molecular Formula:

C12H11N3OS

Molecular Weight:

245.3002

Catalog Number:

AG019ORC

Chemical Name:

2-[5-(2-amino-1,3-thiazol-4-yl)-2-methoxyphenyl]acetonitrile

CAS Number:

871673-04-0

Molecular Formula:

C12H11N3OS

Molecular Weight:

245.3002

MDL Number:

MFCD07355753

IUPAC Name:

2-[5-(2-amino-1,3-thiazol-4-yl)-2-methoxyphenyl]acetonitrile

InChI:

InChI=1S/C12H11N3OS/c1-16-11-3-2-8(6-9(11)4-5-13)10-7-17-12(14)15-10/h2-3,6-7H,4H2,1H3,(H2,14,15)

InChI Key:

UWILBORHCWBAPY-UHFFFAOYSA-N

SMILES:

N#CCc1cc(ccc1OC)c1csc(n1)N

Complexity:

303

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

245.062g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

245.3g/mol

Monoisotopic Mass:

245.062g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

100A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9