Ethyl 4-amino-3-(1-naphthyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate

Base Information

• Chemical Name: Ethyl 4-amino-3-(1-naphthyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate
• CAS No.: 312922-33-1
• Molecular Formula: C16H14N2O2S2
• Molecular Weight: 330.4
• DSSTox Substance ID: DTXSID901144204
• ChEMBL ID: CHEMBL239973
• Mol file: 312922-33-1.mol

Synonyms:ethyl 4-amino-3-(1-naphthyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate;312922-33-1;ethyl 4-amino-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazole-5-carboxylate;ethyl 4-amino-3-(naphthalen-1-yl)-2-thioxo-2,3-dihydrothiazole-5-carboxylate;ethyl 4-amino-3-(naphthalen-1-yl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate;ChemDiv1_017550;Oprea1_183285;CHEMBL239973;SCHEMBL13236164;HMS636N16;DTXSID901144204;MFCD02089353;STK504034;AKOS000266559;CCG-202887;LS-02347;EU-0033247;SR-01000597038;SR-01000597038-1;Ethyl 4-amino-2,3-dihydro-3-(1-naphthalenyl)-2-thioxo-5-thiazolecarboxylate;ethyl 4-amino-3-(naphthalen-1-yl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate;ethyl4-amino-3-(naphthalen-1-yl)-2-thioxo-2,3-dihydrothiazole-5-carboxylate

Chemical Property of Ethyl 4-amino-3-(1-naphthyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate

Chemical Property:

• PKA: -0.12±0.20(Predicted)
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 330.04967004
• Heavy Atom Count: 22
• Complexity: 506

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl 4-amino-3-(1-naphthyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate ^*data from reagent suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1=C(N(C(=S)S1)C2=CC=CC3=CC=CC=C32)N

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