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Home > Thiazole > 1306606-53-0
1306606-53-0 | 1-(4-methyl-1,3-thiazole-5-carbonyl)-1,4-diazepane dihydrochloride
CAS No: 1306606-53-0 Catalog No: AG01AI87 MDL No:MFCD18838925
Product Description
Catalog Number:
AG01AI87
Chemical Name:
1-(4-methyl-1,3-thiazole-5-carbonyl)-1,4-diazepane dihydrochloride
CAS Number:
1306606-53-0
Molecular Formula:
C10H17Cl2N3OS
Molecular Weight:
298.2325
MDL Number:
MFCD18838925
IUPAC Name:
1,4-diazepan-1-yl-(4-methyl-1,3-thiazol-5-yl)methanone;dihydrochloride
InChI:
InChI=1S/C10H15N3OS.2ClH/c1-8-9(15-7-12-8)10(14)13-5-2-3-11-4-6-13;;/h7,11H,2-6H2,1H3;2*1H
InChI Key:
OQKGTCYXYQCSPQ-UHFFFAOYSA-N
SMILES:
Cc1ncsc1C(=O)N1CCNCCC1.Cl.Cl
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.047g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
298.226g/mol
Monoisotopic Mass:
297.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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