CAS 2002-03-1 | 1,3,4-Thiadiazol-2-amine, 5-phenyl- | CAS Number 2002-03-1

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2002-03-1 | 1,3,4-Thiadiazol-2-amine, 5-phenyl-

CAS No: 2002-03-1 Catalog No: AG002CM9 MDL No:MFCD00205278

Product Description

Catalog Number:

AG002CM9

Chemical Name:

1,3,4-Thiadiazol-2-amine, 5-phenyl-

CAS Number:

2002-03-1

Molecular Formula:

C8H7N3S

Molecular Weight:

177.2263

MDL Number:

MFCD00205278

IUPAC Name:

5-phenyl-1,3,4-thiadiazol-2-amine

InChI:

InChI=1S/C8H7N3S/c9-8-11-10-7(12-8)6-4-2-1-3-5-6/h1-5H,(H2,9,11)

InChI Key:

UHZHEOAEJRHUBW-UHFFFAOYSA-N

SMILES:

Nc1nnc(s1)c1ccccc1

NSC Number:

677

Properties

Complexity:

147

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

177.036g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

177.225g/mol

Monoisotopic Mass:

177.036g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7

Literature

Title	Journal
Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase.	Journal of medicinal chemistry 20110113
(2R,3R)-N-(4-Chloro-phen-yl)-2,3-dihydr-oxy-N'-(5-phenyl-1,3,4-thia-diazol-2-yl)succinamide.	Acta crystallographica. Section E, Structure reports online 20100401
(E)-5-Phenyl-N-(2-thienylmethyl-ene)-1,3,4-thia-diazole-2-amine.	Acta crystallographica. Section E, Structure reports online 20090701
Theoretical studies of molecular structure and vibrational spectra of 2-amino-5-phenyl-1,3,4-thiadiazole.	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20060501
Structural and spectroscopic studies on some chloropyrimidine derivatives by experimental and quantum chemical methods.	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20060501
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Synthesis, spectral and antimicrobial studies of bis(cyclopentadienyl)titanium(IV) derivatives with Schiff bases derived from 2-amino-5-phenyl-1,3,4-thiadiazole.	Bioinorganic chemistry and applications 20050101