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75449-08-0 | 1-(4-METHYL-2-(METHYLTHIO)-1,3-THIAZOL-5-YL)-3-(4-(2-PYRIDINYL)-1-PIPERAZINYL)-1-PROPANONE
CAS No: 75449-08-0 Catalog No: AG005KQT MDL No:
Product Description
Catalog Number:
AG005KQT
Chemical Name:
1-(4-METHYL-2-(METHYLTHIO)-1,3-THIAZOL-5-YL)-3-(4-(2-PYRIDINYL)-1-PIPERAZINYL)-1-PROPANONE
CAS Number:
75449-08-0
Molecular Formula:
C17H22N4OS2
Molecular Weight:
362.5128
IUPAC Name:
1-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride
InChI:
InChI=1S/C17H22N4OS2.2ClH/c1-13-16(24-17(19-13)23-2)14(22)6-8-20-9-11-21(12-10-20)15-5-3-4-7-18-15;;/h3-5,7H,6,8-12H2,1-2H3;2*1H
InChI Key:
WMUQPIABNJKFPC-UHFFFAOYSA-N
SMILES:
CSc1nc(c(s1)C(=O)CCN1CCN(CC1)c1ccccn1)C
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
434.077g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
435.426g/mol
Monoisotopic Mass:
434.077g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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