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865659-31-0 | (E)-N,N-dimethyl-N'-(5-{6-methyl-[1,2,4]triazolo[3,2-b][1,3]thiazole-5-carbonyl}-1,3-thiazol-2-yl)methanimidamide
CAS No: 865659-31-0 Catalog No: AG00IY38 MDL No:MFCD04125202
Product Description
Catalog Number:
AG00IY38
Chemical Name:
(E)-N,N-dimethyl-N'-(5-{6-methyl-[1,2,4]triazolo[3,2-b][1,3]thiazole-5-carbonyl}-1,3-thiazol-2-yl)methanimidamide
CAS Number:
865659-31-0
Molecular Formula:
C12H12N6OS2
Molecular Weight:
320.3933
MDL Number:
MFCD04125202
IUPAC Name:
N,N-dimethyl-N'-[5-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carbonyl)-1,3-thiazol-2-yl]methanimidamide
InChI:
InChI=1S/C12H12N6OS2/c1-7-10(21-12-14-5-16-18(7)12)9(19)8-4-13-11(20-8)15-6-17(2)3/h4-6H,1-3H3/b15-6+
InChI Key:
QPZRGIYEGSSYHF-GIDUJCDVSA-N
SMILES:
CN(/C=N/c1ncc(s1)C(=O)c1sc2n(c1C)ncn2)C
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
320.051g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.389g/mol
Monoisotopic Mass:
320.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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