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127268-04-6 | 1-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane
CAS No: 127268-04-6 Catalog No: AG019X6F MDL No:MFCD09734448
Product Description
Catalog Number:
AG019X6F
Chemical Name:
1-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane
CAS Number:
127268-04-6
Molecular Formula:
C9H15N3S
Molecular Weight:
197.3005
MDL Number:
MFCD09734448
IUPAC Name:
2-(1,4-diazepan-1-yl)-4-methyl-1,3-thiazole
InChI:
InChI=1S/C9H15N3S/c1-8-7-13-9(11-8)12-5-2-3-10-4-6-12/h7,10H,2-6H2,1H3
InChI Key:
AOOHBXBPTPTBLB-UHFFFAOYSA-N
SMILES:
Cc1csc(n1)N1CCNCCC1
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.099g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.3g/mol
Monoisotopic Mass:
197.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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