Name: Name:5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine
Brand: Angene
SKU: AG01AIK5
Rating: 90 (10 reviews)

5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine

CAS No.:

383130-54-9

Catalog Number:

AG01AIK5

Molecular Formula:

C10H11N3S

Molecular Weight:

205.2794

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

Product Description

Catalog Number:

AG01AIK5

Chemical Name:

5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine

CAS Number:

383130-54-9

Molecular Formula:

C10H11N3S

Molecular Weight:

205.2794

MDL Number:

MFCD02664074

IUPAC Name:

5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine

InChI:

InChI=1S/C10H11N3S/c1-6-3-7(2)5-8(4-6)9-12-13-10(11)14-9/h3-5H,1-2H3,(H2,11,13)

InChI Key:

NMUYFXIGDRWUJS-UHFFFAOYSA-N

SMILES:

Cc1cc(C)cc(c1)c1nnc(s1)N

Properties

Complexity:

190

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

205.067g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

205.279g/mol

Monoisotopic Mass:

205.067g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase.	Journal of medicinal chemistry 20110113
(E)-5-(3,5-Dimethyl-phen-yl)-N-[4-(methyl-sulfan-yl)benzyl-idene]-1,3,4-thia-diazol-2-amine.	Acta crystallographica. Section E, Structure reports online 20100201