554425-27-3
2-PYRIDINECARBOXAMIDE,N-(4,5,6,7-TETRAHYDRO-2-BENZOTHIAZOLYL)-
Name2-PYRIDINECARBOXAMIDE,N-(4,5,6,7-TETRAHYDRO-2-BENZOTHIAZOLYL)-
1Identification
【Name】
2-PYRIDINECARBOXAMIDE,N-(4,5,6,7-TETRAHYDRO-2-BENZOTHIAZOLYL)-
【CAS】
【MDL】
MFCD03985079
【English Synonyms】
【Formula】
C13 H13 N3 O S
【MolWeight】
259.332
【Inchi】
InChI=1S/C13H13N3OS/c17-12(10-6-3-4-8-14-10)16-13-15-9-5-1-2-7-11(9)18-13/h3-4,6,8H,1-2,5,7H2,(H,15,16,17)
【InChIKey】
InChIKey=SAEGHLBPLGKFOX-UHFFFAOYSA-N
【SMILES】
c1ccnc(c1)C(=O)Nc2nc3c(s2)CCCC3
【MOL File】
2-PYRIDINECARBOXAMID….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-PYRIDINECARBOXAMIDE,N-(4,5,6,7-TETRAHYDRO-2-BENZOTHIAZOLYL)-.cml