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139117-78-5 | 2-Thiazolamine, N-(1,2,5-trimethyl-4-piperidinylidene)-
CAS No: 139117-78-5 Catalog No: AG001ABX MDL No:
Product Description
Catalog Number:
AG001ABX
Chemical Name:
2-Thiazolamine, N-(1,2,5-trimethyl-4-piperidinylidene)-
CAS Number:
139117-78-5
Molecular Formula:
C11H17N3S
Molecular Weight:
223.3378
IUPAC Name:
1,2,5-trimethyl-N-(1,3-thiazol-2-yl)piperidin-4-imine
InChI:
InChI=1S/C11H17N3S/c1-8-7-14(3)9(2)6-10(8)13-11-12-4-5-15-11/h4-5,8-9H,6-7H2,1-3H3
InChI Key:
LTYQSHMLOOLTPK-UHFFFAOYSA-N
SMILES:
CN1CC(C)C(=Nc2nccs2)CC1C
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.114g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.338g/mol
Monoisotopic Mass:
223.114g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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