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89335-21-7 | 4(5H)-Thiazolone, 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-
CAS No: 89335-21-7 Catalog No: AG003ZEK MDL No:
Product Description
Catalog Number:
AG003ZEK
Chemical Name:
4(5H)-Thiazolone, 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-
CAS Number:
89335-21-7
Molecular Formula:
C12H10N4O3S
Molecular Weight:
290.2978
IUPAC Name:
2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]imino]-1,3-thiazolidin-4-one
InChI:
InChI=1S/C12H10N4O3S/c1-18-8-4-2-7(3-5-8)10-15-16-11(19-10)14-12-13-9(17)6-20-12/h2-5H,6H2,1H3,(H,13,14,16,17)
InChI Key:
CADLUDSMADQIHD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nnc(o1)NC1=NC(=O)CS1
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.047g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.297g/mol
Monoisotopic Mass:
290.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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