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303798-21-2 | Piperazine, 1-(4,5-dihydro-5,5-dimethyl-2-thiazolyl)-
CAS No: 303798-21-2 Catalog No: AG002ZWW MDL No:MFCD00573078
Product Description
Catalog Number:
AG002ZWW
Chemical Name:
Piperazine, 1-(4,5-dihydro-5,5-dimethyl-2-thiazolyl)-
CAS Number:
303798-21-2
Molecular Formula:
C9H17N3S
Molecular Weight:
199.3164
MDL Number:
MFCD00573078
IUPAC Name:
5,5-dimethyl-2-piperazin-1-yl-4H-1,3-thiazole
InChI:
InChI=1S/C9H17N3S/c1-9(2)7-11-8(13-9)12-5-3-10-4-6-12/h10H,3-7H2,1-2H3
InChI Key:
BKUDSGWZPKYESY-UHFFFAOYSA-N
SMILES:
CC1(C)CN=C(S1)N1CCNCC1
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.114g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.316g/mol
Monoisotopic Mass:
199.114g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| Menin-MLL inhibitors reverse oncogenic activity of MLL fusion proteins in leukemia. | Nature chemical biology 20120129 |
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