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23223-88-3 | 4-{5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}aniline
CAS No: 23223-88-3 Catalog No: AG019KWL MDL No:MFCD09703264
Product Description
Catalog Number:
AG019KWL
Chemical Name:
4-{5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}aniline
CAS Number:
23223-88-3
Molecular Formula:
C12H13N3S
Molecular Weight:
231.3167
MDL Number:
MFCD09703264
IUPAC Name:
4-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)aniline
InChI:
InChI=1S/C12H13N3S/c13-10-4-2-9(3-5-10)11-8-16-12-14-6-1-7-15(11)12/h2-5,8H,1,6-7,13H2
InChI Key:
HKHQYOYARXWQJY-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)c1csc2=NCCCn12
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.083g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.317g/mol
Monoisotopic Mass:
231.083g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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