Ethyl 4-amino-3-(2-methoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate
Basic information
- CAS
312922-29-5- Standard SMILES
CCOC(=O)c1sc(=S)n(-c2ccccc2OC)c1N- InChIKey
DIMYACCFVLIZQP-UHFFFAOYSA-N- Molecular formula
- C13H14N2O3S2
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.04458466
Names & identifiers
- Preferred name
- Ethyl 4-amino-3-(2-methoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate
- IUPAC
- ethyl 4-amino-3-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate
Names & synonyms
312922-29-5Ethyl 4-amino-3-(2-methoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylateethyl 4-amino-3-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylateEthyl 4-amino-3-(2-methoxyphenyl)-2-thioxo-2,3-dihydrothiazole-5-carboxylateMLS000047590SBB002719SMR000033601Ethyl 4-amino-2,3-dihydro-3-(2-methoxyphenyl)-2-thioxo-5-thiazolecarboxylateETHYL 4-AMINO-3-(2-METHOXYPHENYL)-2-SULFANYLIDENE-2,3-DIHYDRO-1,3-THIAZOLE-5-CARBOXYLATEChemDiv1_017330Oprea1_251586MLS003881338
Show more names
cid_628238CHEMBL1457595BDBM34362HMS636D16DTXSID70347939DIMYACCFVLIZQP-UHFFFAOYSA-NHMS2296O16STK709517
Database identifiers
- CAS
312922-29-5- PubChem CID
- 628238
- DTXSID
DTXSID70347939- ChEMBL
CHEMBL1457595
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
- 439
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Related reactions
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Compound notes
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