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Home > Thiazole > 1423040-86-1
1423040-86-1 | 1-[(2S)-pyrrolidine-2-carbonyl]-4-(1,3-thiazol-2-yl)piperazine dihydrochloride
CAS No: 1423040-86-1 Catalog No: AG01A22K MDL No:MFCD22566034
Product Description
Catalog Number:
AG01A22K
Chemical Name:
1-[(2S)-pyrrolidine-2-carbonyl]-4-(1,3-thiazol-2-yl)piperazine dihydrochloride
CAS Number:
1423040-86-1
Molecular Formula:
C12H20Cl2N4OS
Molecular Weight:
339.2844
MDL Number:
MFCD22566034
IUPAC Name:
[(2S)-pyrrolidin-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone;dihydrochloride
InChI:
InChI=1S/C12H18N4OS.2ClH/c17-11(10-2-1-3-13-10)15-5-7-16(8-6-15)12-14-4-9-18-12;;/h4,9-10,13H,1-3,5-8H2;2*1H/t10-;;/m0../s1
InChI Key:
DAEFRVXREOODKU-XRIOVQLTSA-N
SMILES:
O=C(N1CCN(CC1)c1nccs1)[C@@H]1CCCN1.Cl.Cl
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
338.073g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
339.279g/mol
Monoisotopic Mass:
338.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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