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Home > Pyridines > 1105192-52-6
1105192-52-6 | 2-Piperidin-1-yl-7-(2-thienyl)[1,3]thiazolo[4,5-d]pyridazin-4(5H)-one
CAS No: 1105192-52-6 Catalog No: AG01FMNU MDL No:MFCD11986459
Product Description
Catalog Number:
AG01FMNU
Chemical Name:
2-Piperidin-1-yl-7-(2-thienyl)[1,3]thiazolo[4,5-d]pyridazin-4(5H)-one
CAS Number:
1105192-52-6
Molecular Formula:
C14H14N4OS2
Molecular Weight:
318.4172
MDL Number:
MFCD11986459
IUPAC Name:
2-piperidin-1-yl-7-thiophen-2-yl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one
InChI:
InChI=1S/C14H14N4OS2/c19-13-11-12(10(16-17-13)9-5-4-8-20-9)21-14(15-11)18-6-2-1-3-7-18/h4-5,8H,1-3,6-7H2,(H,17,19)
InChI Key:
NXIIGOOOZGORMG-UHFFFAOYSA-N
SMILES:
O=c1[nH]nc(c2c1nc(s2)N1CCCCC1)c1cccs1
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.061g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.413g/mol
Monoisotopic Mass:
318.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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