Home Other Building Blocks 5-fluoro-2-(piperidin-4-yl)-1,3-benzothiazole

5-fluoro-2-(piperidin-4-yl)-1,3-benzothiazole

CAS No.:
1095644-94-2
Catalog Number:
AG019TRS
Molecular Formula:
C12H13FN2S
Molecular Weight:
236.3084
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Product Description
Catalog Number:
AG019TRS
Chemical Name:
5-fluoro-2-(piperidin-4-yl)-1,3-benzothiazole
CAS Number:
1095644-94-2
Molecular Formula:
C12H13FN2S
Molecular Weight:
236.3084
MDL Number:
MFCD11636812
IUPAC Name:
5-fluoro-2-piperidin-4-yl-1,3-benzothiazole
InChI:
InChI=1S/C12H13FN2S/c13-9-1-2-11-10(7-9)15-12(16-11)8-3-5-14-6-4-8/h1-2,7-8,14H,3-6H2
InChI Key:
OLBCXLRTNNMXJU-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)nc(s2)C1CCNCC1
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.078g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
236.308g/mol
Monoisotopic Mass:
236.078g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties