Home Aminos 7-(2-amino-1,3-thiazol-4-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one

7-(2-amino-1,3-thiazol-4-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one

CAS No.:
105344-32-9
Catalog Number:
AG01BHOY
Molecular Formula:
C13H13N3OS
Molecular Weight:
259.3268
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Product Description
Catalog Number:
AG01BHOY
Chemical Name:
7-(2-amino-1,3-thiazol-4-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one
CAS Number:
105344-32-9
Molecular Formula:
C13H13N3OS
Molecular Weight:
259.3268
MDL Number:
MFCD10006179
IUPAC Name:
7-(2-amino-1,3-thiazol-4-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
InChI:
InChI=1S/C13H13N3OS/c14-13-16-11(7-18-13)9-4-5-10-8(6-9)2-1-3-12(17)15-10/h4-7H,1-3H2,(H2,14,16)(H,15,17)
InChI Key:
QXOUAQYJNTXFCQ-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c(N1)ccc(c2)c1csc(n1)N
Properties
Complexity:
325  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.078g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
259.327g/mol
Monoisotopic Mass:
259.078g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties