N-(2,4-dimethoxybenzyl)-1,2,4-thiadiazol-5-amine

HCID 57732216

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Basic information

CAS: 1063733-41-4
Standard SMILES: COc1ccc(CNc2ncns2)c(OC)c1
InChIKey: ZEZFQTOAJHHYCZ-UHFFFAOYSA-N
Molecular formula: C11H13N3O2S
Average molar mass: 251.31 g/mol
Monoisotopic mass: 251.07284766

Names & identifiers

Preferred name: N-(2,4-dimethoxybenzyl)-1,2,4-thiadiazol-5-amine
IUPAC: N-[(2,4-dimethoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine
English name: N-[(2,4-DIMETHOXYPHENYL)METHYL]-1,2,4-THIADIAZOL-5-AMINE
Molecular formula: C11H13N3O2S
Molecular weight: 251.3

Names & synonyms

1063733-41-4N-(2,4-dimethoxybenzyl)-1,2,4-thiadiazol-5-amineN-[(2,4-dimethoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine(2,4-Dimethoxy-benzyl)-[1,2,4]thiadiazol-5-yl-amineMFCD20784227(2,4-Dimethoxy-benzyl)-(1,2,4)thiadiazol-5-yl-amineSCHEMBL319454CS-WAA0099SCHEMBL29736330DTXSID40727789ZEZFQTOAJHHYCZ-UHFFFAOYSA-NNSB73341

Show more names

1,2,4-Thiadiazol-5-amine, N-[(2,4-dimethoxyphenyl)methyl]-

AKOS014608688SB30447SS-4649SY123882DB-298205CS-0035038F11987F244458

Database identifiers

CAS: 1063733-41-4
PubChem CID: 57732216
DTXSID: DTXSID40727789

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 84.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 17
Formal charge: 0
Complexity: 233

Physicochemical properties

storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Appearance: White to off-white Solid
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H319-H315-H335
Precautionary statements: 280 · P280-P261-P304-P340-P312-P301-P330-P305-P351-P338
HS Code: 2922390090 · 2922390090