Name: Name:4-(5-amino-1,3,4-thiadiazol-2-yl)benzonitrile
Brand: Angene
SKU: AG01DWEM
Rating: 90 (10 reviews)

4-(5-amino-1,3,4-thiadiazol-2-yl)benzonitrile

CAS No.:

40104-29-8

Catalog Number:

AG01DWEM

Molecular Formula:

C9H6N4S

Molecular Weight:

202.2357

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Product Description

Catalog Number:

AG01DWEM

Chemical Name:

4-(5-amino-1,3,4-thiadiazol-2-yl)benzonitrile

CAS Number:

40104-29-8

Molecular Formula:

C9H6N4S

Molecular Weight:

202.2357

MDL Number:

MFCD07771974

IUPAC Name:

4-(5-amino-1,3,4-thiadiazol-2-yl)benzonitrile

InChI:

InChI=1S/C9H6N4S/c10-5-6-1-3-7(4-2-6)8-12-13-9(11)14-8/h1-4H,(H2,11,13)

InChI Key:

AOEWGJAUPQKSSQ-UHFFFAOYSA-N

SMILES:

N#Cc1ccc(cc1)c1nnc(s1)N

Properties

Complexity:

240

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

202.031g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

202.235g/mol

Monoisotopic Mass:

202.031g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

104A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4

Literature

Title	Journal
Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase.	Journal of medicinal chemistry 20110113