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111730-40-6 | 7H-Thiazolo[3,2-a]pyrimidine-5-carboxamide, 2,3-dihydro-7-oxo-
CAS No: 111730-40-6 Catalog No: AG0081TJ MDL No:
Product Description
Catalog Number:
AG0081TJ
Chemical Name:
7H-Thiazolo[3,2-a]pyrimidine-5-carboxamide, 2,3-dihydro-7-oxo-
CAS Number:
111730-40-6
Molecular Formula:
C7H7N3O2S
Molecular Weight:
197.2144
IUPAC Name:
7-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
InChI:
InChI=1S/C7H7N3O2S/c8-6(12)4-3-5(11)9-7-10(4)1-2-13-7/h3H,1-2H2,(H2,8,12)
InChI Key:
NVNNTVUIKJMUPC-UHFFFAOYSA-N
SMILES:
O=c1nc2SCCn2c(c1)C(=O)N
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.026g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.212g/mol
Monoisotopic Mass:
197.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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