4,5-dimethyl 2-[(3-cyanopropyl)imino]-3-methyl-1,3-thiazole-4,5-dicarboxylate
AlkaPlorer ID: AK277801
Synonym: None
IUPAC Name: dimethyl 2-(3-cyanopropylimino)-3-methyl-1,3-thiazole-4,5-dicarboxylate
Structure
SMILES: COC(=O)C1=C(C(=O)OC)N(C)C(=NCCCC#N)S1
InChI: InChI=1S/C12H15N3O4S/c1-15-8(10(16)18-2)9(11(17)19-3)20-12(15)14-7-5-4-6-13/h4-5,7H2,1-3H3
InChIKey: KHWOSOJQMVQHER-UHFFFAOYSA-N
Source
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Properties Information
Molecule Weight: 297.336
TPSA？: 93.68
MolLogP？: 0.8642799999999996
Number of H-Donors: 0
Number of H-Acceptors: 8
RingCount: 1
Activities Information
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