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Home > Thiazole > 1052539-68-0
1052539-68-0 | 1-[(2-Thien-3-yl-1,3-thiazol-4-yl)methyl]piperazine, HCl
CAS No: 1052539-68-0 Catalog No: AG00HALS MDL No:MFCD08692018
Product Description
Catalog Number:
AG00HALS
Chemical Name:
1-[(2-Thien-3-yl-1,3-thiazol-4-yl)methyl]piperazine, HCl
CAS Number:
1052539-68-0
Molecular Formula:
C12H16ClN3S2
Molecular Weight:
301.8585
MDL Number:
MFCD08692018
IUPAC Name:
4-(piperazin-1-ylmethyl)-2-thiophen-3-yl-1,3-thiazole;hydrochloride
InChI:
InChI=1S/C12H15N3S2.ClH/c1-6-16-8-10(1)12-14-11(9-17-12)7-15-4-2-13-3-5-15;/h1,6,8-9,13H,2-5,7H2;1H
InChI Key:
NBFYZAASDNYXLF-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)Cc1csc(n1)c1cscc1.Cl
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.047g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
301.851g/mol
Monoisotopic Mass:
301.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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