Home Other Building Blocks 2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetic acid

2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetic acid

CAS No.:
1240527-48-3
Catalog Number:
AG01A9IJ
Molecular Formula:
C9H11N3O3S
Molecular Weight:
241.2669
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Product Description
Catalog Number:
AG01A9IJ
Chemical Name:
2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetic acid
CAS Number:
1240527-48-3
Molecular Formula:
C9H11N3O3S
Molecular Weight:
241.2669
MDL Number:
MFCD16066314
IUPAC Name:
2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetic acid
InChI:
InChI=1S/C9H11N3O3S/c13-7(14)4-6-5-16-9(11-6)12-3-1-2-10-8(12)15/h5H,1-4H2,(H,10,15)(H,13,14)
InChI Key:
GTEHCDMYEPGQQL-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1csc(n1)N1CCCNC1=O
Properties
Complexity:
300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.052g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
241.265g/mol
Monoisotopic Mass:
241.052g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties