Ethyl 4-amino-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate
Basic information
- CAS
443319-90-2- Standard SMILES
CCOC(=O)c1sc(=S)n(-c2ccc(OC)cc2)c1N- InChIKey
ZDHSODVAAWIGSA-UHFFFAOYSA-N- Molecular formula
- C13H14N2O3S2
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.04458466
Names & identifiers
- Preferred name
- Ethyl 4-amino-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate
- IUPAC
- ethyl 4-amino-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate
Names & synonyms
ETHYL 4-AMINO-3-(4-METHOXYPHENYL)-2-SULFANYLIDENE-2,3-DIHYDRO-1,3-THIAZOLE-5-CARBOXYLATEethyl 4-amino-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate443319-90-2MLS000769067CHEMBL1312267DTXSID301333762HMS2808F17CCG-22023STL363706AKOS000347937SMR000433783EU-0047175
Show more names
SR-01000505526SR-01000505526-14-Amino-3-(4-methoxy-phenyl)-2-thioxo-2,3-dihydro-thiazole-5-carboxylic acid ethyl esterethyl 4-amino-3-(4-methoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylateethyl 4-amino-3-(4-methoxyphenyl)-2-thioxo-2,3-dihydrothiazole-5-carboxylate
Database identifiers
- CAS
443319-90-2- PubChem CID
- 705131
- DTXSID
DTXSID301333762- ChEMBL
CHEMBL1312267
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 431
Experimental & physicochemical properties
Solubility2 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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