Ethyl 2-(1,3-diethyltetrahydro-4,6-dioxo-2-thioxo-(2H)-pyrimidin-5-ylidene)-2,3-dihydro-3,4-dimethylthiazole-5-carboxylate
Basic information
- CAS
21368-26-3- Standard SMILES
CCOC(=O)C1=C(C)N(C)C(=C2C(=O)N(CC)C(=S)N(CC)C2=O)S1- InChIKey
YTTIJYIEPFKITG-UHFFFAOYSA-N- Molecular formula
- C16H21N3O4S2
- Average molar mass
- 383.5 g/mol
- Monoisotopic mass
- 383.09734851
Names & identifiers
- Preferred name
- Ethyl 2-(1,3-diethyltetrahydro-4,6-dioxo-2-thioxo-(2H)-pyrimidin-5-ylidene)-2,3-dihydro-3,4-dimethylthiazole-5-carboxylate
- IUPAC
- ethyl 2-(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)-3,4-dimethyl-1,3-thiazole-5-carboxylate
- English name
- ethyl 2-(1,3-diethyltetrahydro-4,6-dioxo-2-thioxo-(2H)-pyrimidin-5-ylidene)-2,3-dihydro-3,4-dimethylthiazole-5-carboxylate
- Molecular formula
- C16H21N3O4S2
- Molecular weight
- 383.49
Names & synonyms
21368-26-3Ethyl 2-(1,3-diethyltetrahydro-4,6-dioxo-2-thioxo-(2H)-pyrimidin-5-ylidene)-2,3-dihydro-3,4-dimethylthiazole-5-carboxylateEINECS 244-349-9DTXSID20175628YTTIJYIEPFKITG-UHFFFAOYSA-Nethyl 2-(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)-3,4-dimethyl-2,3-dihydro-1,3-thiazole-5-carboxylateNS000218485-Thiazolecarboxylic acid, 2-(1,3-diethyltetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)-2,3-dihydro-3,4-dimethyl-, ethyl ester2-(1,3-Diethyl-1,3,4,6-tetrahydro-4,6-dioxo-2-thioxopyrimidin-5(2H)-ylidene)-2,3-dihydro-3,4-dimethyl-5-thiazolecarboxylic acid ethyl ester
Database identifiers
- CAS
21368-26-3- PubChem CID
- 88879
- DTXSID
DTXSID20175628- EC Number
- 244-349-9
- Nikkaji
- J226.190A
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 686
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