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Home > Thiazole > 1105194-44-2
1105194-44-2 | 4,6-Dimethyl-2-piperazin-1-yl-1,3-benzothiazole
CAS No: 1105194-44-2 Catalog No: AG01ARLS MDL No:MFCD11986733
Product Description
Catalog Number:
AG01ARLS
Chemical Name:
4,6-Dimethyl-2-piperazin-1-yl-1,3-benzothiazole
CAS Number:
1105194-44-2
Molecular Formula:
C13H17N3S
Molecular Weight:
247.3592
MDL Number:
MFCD11986733
IUPAC Name:
4,6-dimethyl-2-piperazin-1-yl-1,3-benzothiazole
InChI:
InChI=1S/C13H17N3S/c1-9-7-10(2)12-11(8-9)17-13(15-12)16-5-3-14-4-6-16/h7-8,14H,3-6H2,1-2H3
InChI Key:
VLTGTAWRTRKWQG-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c2c(c1)sc(n2)N1CCNCC1
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.114g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.36g/mol
Monoisotopic Mass:
247.114g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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