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Home > Thiazole > 1263279-88-4
1263279-88-4 | Benzothiazole, 2-methyl-5-(4-piperidinylmethyl)-
CAS No: 1263279-88-4 Catalog No: AG000SL4 MDL No:
Product Description
Catalog Number:
AG000SL4
Chemical Name:
Benzothiazole, 2-methyl-5-(4-piperidinylmethyl)-
CAS Number:
1263279-88-4
Molecular Formula:
C14H18N2S
Molecular Weight:
246.3711
IUPAC Name:
2-methyl-5-(piperidin-4-ylmethyl)-1,3-benzothiazole
InChI:
InChI=1S/C14H18N2S/c1-10-16-13-9-12(2-3-14(13)17-10)8-11-4-6-15-7-5-11/h2-3,9,11,15H,4-8H2,1H3
InChI Key:
VKZRBORNQBPFSP-UHFFFAOYSA-N
SMILES:
Cc1sc2c(n1)cc(cc2)CC1CCNCC1
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.119g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.372g/mol
Monoisotopic Mass:
246.119g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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