2-[(6-Chloro-2-methyl-4-pyrimidinyl)amino]-5-thiazolecarboxylic Acid Methyl Ester - CAS 1251716-80-9
Catalog: |
BB070009 |
Product Name: |
2-[(6-Chloro-2-methyl-4-pyrimidinyl)amino]-5-thiazolecarboxylic Acid Methyl Ester |
CAS: |
1251716-80-9 |
Synonyms: |
2-[(6-Chloro-2-methyl-4-pyrimidinyl)amino]-5-thiazolecarboxylic acid methyl ester; Methyl 2-((6-chloro-2-methylpyrimidin-4-yl)amino)thiazole-5-carboxylate; methyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate; Methyl 2-[(6-Chloro-2-methylpyrimidin-4-yl)amino]thiazole-5-carboxylate |
IUPAC Name: | methyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate |
Description: | Dasatinib (D193600) intermediate. |
Molecular Weight: | 284.72 |
Molecular Formula: | C10H9ClN4O2S |
Canonical SMILES: | CC1=NC(=CC(=N1)Cl)NC2=NC=C(S2)C(=O)OC |
InChI: | InChI=1S/C10H9ClN4O2S/c1-5-13-7(11)3-8(14-5)15-10-12-4-6(18-10)9(16)17-2/h3-4H,1-2H3,(H,12,13,14,15) |
InChI Key: | PWEKRDVMLSIHBF-UHFFFAOYSA-N |
Complexity: | 310 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 284.0134744 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 284.0134744 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 105Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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