Name: Name:2-(1,3-thiazol-4-yl)-1H-1,3-benzodiazole-5-carbonitrile
Brand: Angene
SKU: AG01BBOG
Rating: 90 (10 reviews)

2-(1,3-thiazol-4-yl)-1H-1,3-benzodiazole-5-carbonitrile

CAS No.:

877928-42-2

Catalog Number:

AG01BBOG

Molecular Formula:

C11H6N4S

Molecular Weight:

226.2571

Catalog Number:

AG01BBOG

Chemical Name:

2-(1,3-thiazol-4-yl)-1H-1,3-benzodiazole-5-carbonitrile

CAS Number:

877928-42-2

Molecular Formula:

C11H6N4S

Molecular Weight:

226.2571

MDL Number:

MFCD24874393

IUPAC Name:

2-(1,3-thiazol-4-yl)-3H-benzimidazole-5-carbonitrile

InChI:

InChI=1S/C11H6N4S/c12-4-7-1-2-8-9(3-7)15-11(14-8)10-5-16-6-13-10/h1-3,5-6H,(H,14,15)

InChI Key:

DTQNURVJUCHZDE-UHFFFAOYSA-N

SMILES:

N#Cc1ccc2c(c1)nc([nH]2)c1cscn1

Complexity:

312

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

226.031g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

226.257g/mol

Monoisotopic Mass:

226.031g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

93.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2