104481-25-6
4-Thiazolecarboxylic acid, 2-[4-(phenylmethyl)-1-piperazinyl]-, ethyl ester
Name4-Thiazolecarboxylic acid, 2-[4-(phenylmethyl)-1-piperazinyl]-, ethyl ester
1Identification
【Name】
4-Thiazolecarboxylic acid, 2-[4-(phenylmethyl)-1-piperazinyl]-, ethyl ester
【CAS】
【MDL】
【English Synonyms】
【Formula】
C17H21N3O2S
【MolWeight】
331.433
【Inchi】
InChI=1S/C17H21N3O2S/c1-2-22-16(21)15-13-23-17(18-15)20-10-8-19(9-11-20)12-14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3
【InChIKey】
InChIKey=JISJEYVLPPWLOT-UHFFFAOYSA-N
【SMILES】
C1(=CC=CC=C1)CN1CCN(CC1)C=1SC=C(N1)C(=O)OCC
【MOL File】
4-Thiazolecarboxylic….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
4-Thiazolecarboxylic acid, 2-[4-(phenylmethyl)-1-piperazinyl]-, ethyl ester.cml