5,5-Dimethyl-2-(piperazin-1-yl)-4,5-dihydrothiazole - CAS 303798-21-2
Catalog: |
BB067148 |
Product Name: |
5,5-Dimethyl-2-(piperazin-1-yl)-4,5-dihydrothiazole |
CAS: |
303798-21-2 |
Synonyms: |
1-(4,5-Dihydro-5,5-dimethyl-2-thiazolyl)piperazine |
IUPAC Name: | 5,5-dimethyl-2-piperazin-1-yl-4H-1,3-thiazole |
Description: | 5,5-Dimethyl-2-(piperazin-1-yl)-4,5-dihydrothiazole, is a building block used in the synthesis of more complex compounds such as, Menin-MLL inhibitors having reverse oncogenic activity of MLL fusion proteins in leukemia |
Molecular Weight: | 199.32 |
Molecular Formula: | C9H17N3S |
Canonical SMILES: | CC1(CN=C(S1)N2CCNCC2)C |
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 |
References: | Grembecka, J. et al. Nat. Chem. Bio. Vol.8, Isuue3, P: 277-284 (2012). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.11431873 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.11431873 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 52.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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