544417-05-2
4-(5,7-DIMETHYL-2-(THIAZOL-2-YL)-1H-INDOL-3-YL)BUTAN-1-AMINE
Name4-(5,7-DIMETHYL-2-(THIAZOL-2-YL)-1H-INDOL-3-YL)BUTAN-1-AMINE
1Identification
【Name】
4-(5,7-DIMETHYL-2-(THIAZOL-2-YL)-1H-INDOL-3-YL)BUTAN-1-AMINE
【CAS】
【MDL】
MFCD05194094
【English Synonyms】
【Formula】
C17 H21 N3 S
【MolWeight】
299.44
【Inchi】
InChI=1S/C17H21N3S/c1-11-9-12(2)15-14(10-11)13(5-3-4-6-18)16(20-15)17-19-7-8-21-17/h7-10,20H,3-6,18H2,1-2H3
【InChIKey】
InChIKey=RNULAPFTKHJFNW-UHFFFAOYSA-N
【SMILES】
Cc1cc(c2c(c1)c(c([nH]2)c3nccs3)CCCCN)C
【MOL File】
4-(5,7-DIMETHYL-2-(T….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(5,7-DIMETHYL-2-(THIAZOL-2-YL)-1H-INDOL-3-YL)BUTAN-1-AMINE.cml