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861211-22-5 | (E)-N'-[5-(4-methoxybenzoyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide
CAS No: 861211-22-5 Catalog No: AG00ISG2 MDL No:MFCD04124983
Product Description
Catalog Number:
AG00ISG2
Chemical Name:
(E)-N'-[5-(4-methoxybenzoyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide
CAS Number:
861211-22-5
Molecular Formula:
C14H15N3O2S
Molecular Weight:
289.3528
MDL Number:
MFCD04124983
IUPAC Name:
N'-[5-(4-methoxybenzoyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide
InChI:
InChI=1S/C14H15N3O2S/c1-17(2)9-16-14-15-8-12(20-14)13(18)10-4-6-11(19-3)7-5-10/h4-9H,1-3H3
InChI Key:
ISAPSSRLTVHWFS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)c1cnc(s1)/N=C/N(C)C
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.088g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.353g/mol
Monoisotopic Mass:
289.088g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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