2-Amino-5-(4-fluorophenyl)-1,3,4-thiadiazole - CAS 942-70-1
Catalog: |
BB041258 |
Product Name: |
2-Amino-5-(4-fluorophenyl)-1,3,4-thiadiazole |
CAS: |
942-70-1 |
Synonyms: |
5-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine |
IUPAC Name: | 5-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine |
Description: | 2-Amino-5-(4-fluorophenyl)-1,3,4-thiadiazole (CAS# 942-70-1) is a useful research chemical. |
Molecular Weight: | 195.22 |
Molecular Formula: | C8H6FN3S |
Canonical SMILES: | C1=CC(=CC=C1C2=NN=C(S2)N)F |
InChI: | InChI=1S/C8H6FN3S/c9-6-3-1-5(2-4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12) |
InChI Key: | WRSVCKNLHZWSNJ-UHFFFAOYSA-N |
Boiling Point: | 351.9 ℃ at 760 mmHg |
Melting Point: | 238-243 ℃ |
Purity: | 95 % |
Density: | 1.423 g/cm3 |
Appearance: | White to tan powder or crystals |
MDL: | MFCD00981219 |
LogP: | 2.50760 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020116972-A1 | Compounds having pde9a inhibitory activity, and pharmaceutical uses thereof | 20181206 |
KR-20200068996-A | Compound for inhibiting PDE9A and medical uses thereof | 20181206 |
CN-113166159-A | Compound with PDE9A inhibitory activity and pharmaceutical use thereof | 20181206 |
EP-3892622-A1 | Compounds having pde9a inhibitory activity, and pharmaceutical uses thereof | 20181206 |
CN-107001351-B | Derivatives of 2- (1,2, 4-triazol-3-ylsulfanyl) -N-1,3, 4-thiadiazol-2-ylacetamide useful in the treatment of, in particular, diabetes | 20141029 |
PMID | Publication Date | Title | Journal |
24161679 | 20131101 | 2-Heteroarylimino-5-arylidene-4-thiazolidinones as a new class of non-nucleoside inhibitors of HCV NS5B polymerase | European journal of medicinal chemistry |
21583266 | 20090529 | 5-(3-Fluoro-phen-yl)-1,3,4-thia-diazol-2-amine | Acta crystallographica. Section E, Structure reports online |
Complexity: | 173 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.02664654 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.02664654 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 80 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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