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Home > Pyridines > 1017170-36-3
1017170-36-3 | 2-(4-methylphenyl)-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine
CAS No: 1017170-36-3 Catalog No: AG00H9K5 MDL No:MFCD09882213
Product Description
Catalog Number:
AG00H9K5
Chemical Name:
2-(4-methylphenyl)-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine
CAS Number:
1017170-36-3
Molecular Formula:
C13H14N2S
Molecular Weight:
230.3287
MDL Number:
MFCD09882213
IUPAC Name:
2-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;dihydrobromide
InChI:
InChI=1S/C13H14N2S.2BrH/c1-9-2-4-10(5-3-9)13-15-11-6-7-14-8-12(11)16-13;;/h2-5,14H,6-8H2,1H3;2*1H
InChI Key:
MXSMGMRCEABBFW-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1nc2c(s1)CNCC2
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.938g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
392.153g/mol
Monoisotopic Mass:
389.94g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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