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23433-27-4 | Piperazine, 1-[2-(4-methyl-5-thiazolyl)ethyl]-4-(2-pyridinyl)-, hydrochloride (1:3)
CAS No: 23433-27-4 Catalog No: AG002N7U MDL No:
Product Description
Catalog Number:
AG002N7U
Chemical Name:
Piperazine, 1-[2-(4-methyl-5-thiazolyl)ethyl]-4-(2-pyridinyl)-, hydrochloride (1:3)
CAS Number:
23433-27-4
Molecular Formula:
C15H23Cl3N4S
Molecular Weight:
397.7939
IUPAC Name:
4-methyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazole;trihydrochloride
InChI:
InChI=1S/C15H20N4S.3ClH/c1-13-14(20-12-17-13)5-7-18-8-10-19(11-9-18)15-4-2-3-6-16-15;;;/h2-4,6,12H,5,7-11H2,1H3;3*1H
InChI Key:
VNBKXJSBICVGEY-UHFFFAOYSA-N
SMILES:
Cc1ncsc1CCN1CCN(CC1)c1ccccn1.Cl.Cl.Cl
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.071g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
397.787g/mol
Monoisotopic Mass:
396.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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