731801-14-2
1-[((5-[(3-METHYLPHENYL)AMINO]-1,3,4-THIADIAZOL-2-YL)THIO)ACETYL]PIPERIDINE-4-CARBOXYLIC ACID
Name1-[((5-[(3-METHYLPHENYL)AMINO]-1,3,4-THIADIAZOL-2-YL)THIO)ACETYL]PIPERIDINE-4-CARBOXYLIC ACID
1Identification
【Name】
1-[((5-[(3-METHYLPHENYL)AMINO]-1,3,4-THIADIAZOL-2-YL)THIO)ACETYL]PIPERIDINE-4-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD04627147
【English Synonyms】
【Formula】
C17 H20 N4 O3 S2
【MolWeight】
392.502
【Inchi】
InChI=1S/C17H20N4O3S2/c1-11-3-2-4-13(9-11)18-16-19-20-17(26-16)25-10-14(22)21-7-5-12(6-8-21)15(23)24/h2-4,9,12H,5-8,10H2,1H3,(H,18,19)(H,23,24)
【InChIKey】
InChIKey=QVOAXPTULOVNQT-UHFFFAOYSA-N
【SMILES】
Cc1cccc(c1)Nc2nnc(s2)SCC(=O)N3CCC(CC3)C(=O)O
【MOL File】
1-[((5-[(3-METHYLPHE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-[((5-[(3-METHYLPHENYL)AMINO]-1,3,4-THIADIAZOL-2-YL)THIO)ACETYL]PIPERIDINE-4-CARBOXYLIC ACID.cml