Home Carboxys methyl 4H,5H,6H,7H-[1,3]thiazolo[5,4-b]pyridine-2-carboxylate

methyl 4H,5H,6H,7H-[1,3]thiazolo[5,4-b]pyridine-2-carboxylate

CAS No.:
2091520-30-6
Catalog Number:
AG01EJ7F
Molecular Formula:
C8H10N2O2S
Molecular Weight:
198.2422
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Product Description
Catalog Number:
AG01EJ7F
Chemical Name:
methyl 4H,5H,6H,7H-[1,3]thiazolo[5,4-b]pyridine-2-carboxylate
CAS Number:
2091520-30-6
Molecular Formula:
C8H10N2O2S
Molecular Weight:
198.2422
MDL Number:
MFCD31668288
IUPAC Name:
methyl 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-b]pyridine-2-carboxylate
InChI:
InChI=1S/C8H10N2O2S/c1-12-8(11)7-10-5-3-2-4-9-6(5)13-7/h9H,2-4H2,1H3
InChI Key:
JDJJUIBCAWFLRB-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc2c(s1)NCCC2
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.046g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
198.24g/mol
Monoisotopic Mass:
198.046g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties