2-Amino-5-(4-methoxyphenyl)-1,3,4-thiadiazole - CAS 1014-25-1
Catalog: |
BB000509 |
Product Name: |
2-Amino-5-(4-methoxyphenyl)-1,3,4-thiadiazole |
CAS: |
1014-25-1 |
Synonyms: |
5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine |
IUPAC Name: | 5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine |
Description: | 2-Amino-5-(4-methoxyphenyl)-1,3,4-thiadiazole (CAS# 1014-25-1) is a thiadiazole derivative that is potent and selective human adenosine A3 receptor antagonist. It is also used as a reactant in the synthesis of substituted thiadiazolyl(styryl)quinazolinones with anticonvulsant, sedative-hypnotic, and CNS depressant activities. |
Molecular Weight: | 207.25 |
Molecular Formula: | C9H9N3OS |
Canonical SMILES: | COC1=CC=C(C=C1)C2=NN=C(S2)N |
InChI: | InChI=1S/C9H9N3OS/c1-13-7-4-2-6(3-5-7)8-11-12-9(10)14-8/h2-5H,1H3,(H2,10,12) |
InChI Key: | UJBCFMCQLVRXBQ-UHFFFAOYSA-N |
Boiling Point: | 393.1 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.32 g/cm3 |
Appearance: | White to brown solid |
MDL: | MFCD00813220 |
LogP: | 2.37710 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021071308-A1 | Selective surface finishing for corrosion inhibition via chemical vapor deposition | 20190909 |
CN-112279845-A | Aryl or heteroaryl substituted thiadiazole compounds and antibacterial application thereof | 20190724 |
TW-202043340-A | Coatings for waterproofing electronic components | 20190322 |
CN-108299964-A | Anti-aging coating of insulation for outdoor box switchyard and preparation method thereof | 20180131 |
CN-108346983-A | Outdoor detachable height protects box-type substation | 20180131 |
PMID | Publication Date | Title | Journal |
21587933 | 20100618 | 2-(4-Fluoro-benzyl-idene)-N-(4-meth-oxy-benzylidene)-1,3,4-thia-diazol-2-amine | Acta crystallographica. Section E, Structure reports online |
21201099 | 20080906 | (2R)-2-Cinnamoylamino-N-[5-(4-methoxy-phen-yl)-1,3,4-thia-diazol-2-yl]propanamide | Acta crystallographica. Section E, Structure reports online |
19048783 | 20080901 | [Synthesis and antibacterial activity of imidazothiadiazoles and heterocyclic-amine Mannich-base hydrochloride] | Yao xue xue bao = Acta pharmaceutica Sinica |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.04663309 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.04663309 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 89.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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