Ethyl 4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate
Basic information
- CAS
57036-99-4- Standard SMILES
CCOC(=O)c1sc(=S)n(-c2ccc(C)cc2)c1N- InChIKey
OGFXATQWIQNCSW-UHFFFAOYSA-N- Molecular formula
- C13H14N2O2S2
- Average molar mass
- 294.4 g/mol
- Monoisotopic mass
- 294.04967004
Names & identifiers
- Preferred name
- Ethyl 4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate
- IUPAC
- ethyl 4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate
Names & synonyms
57036-99-4Ethyl 4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylateethyl 4-amino-2-thioxo-3-(p-tolyl)-2,3-dihydrothiazole-5-carboxylateethyl 4-amino-3-(4-methylphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate4-Amino-2-thioxo-3-p-tolyl-2,3-dihydro-thiazole-5-carboxylic acid ethyl esterethyl 4-amino-3-(4-methylphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylateMLS000621911CHEMBL1587631DTXSID601333761HMS2727B10AKOS000348684CCG-199268
Show more names
SMR000310838EU-0094783SR-01000102433SR-01000102433-1F1285-1699
Database identifiers
- CAS
57036-99-4- PubChem CID
- 4439635
- DTXSID
DTXSID601333761- ChEMBL
CHEMBL1587631
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 415
Experimental & physicochemical properties
Solubility1.4 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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