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Home > Thiazole > 1177320-64-7
1177320-64-7 | "1-{[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl}piperazine dihydrochloride"
CAS No: 1177320-64-7 Catalog No: AG01FMPF MDL No:MFCD10023079
Product Description
Catalog Number:
AG01FMPF
Chemical Name:
"1-{[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl}piperazine dihydrochloride"
CAS Number:
1177320-64-7
Molecular Formula:
C15H21Cl2N3OS
Molecular Weight:
362.3177
MDL Number:
MFCD10023079
IUPAC Name:
4-(3-methoxyphenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride
InChI:
InChI=1S/C15H19N3OS.2ClH/c1-19-13-4-2-3-12(9-13)14-11-20-15(17-14)10-18-7-5-16-6-8-18;;/h2-4,9,11,16H,5-8,10H2,1H3;2*1H
InChI Key:
KCWANJWRXWCDSS-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1csc(n1)CN1CCNCC1.Cl.Cl
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.078g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
362.313g/mol
Monoisotopic Mass:
361.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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