5-[(4-Methoxyphenyl)methyl]-2-thiazolamine - CAS 299953-06-3
Catalog: |
BB075887 |
Product Name: |
5-[(4-Methoxyphenyl)methyl]-2-thiazolamine |
CAS: |
299953-06-3 |
Synonyms: |
5-(4-Methoxy-benzyl)-thiazol-2-ylamine; 5-(4-Methoxybenzyl)thiazol-2-amine; 5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine; 5-(4-methoxybenzyl)-1,3-thiazol-2-amine; 5-(4-Methoxy-benzyl)thiazol-2-ylamine; 2-Thiazolamine, 5-[(4-methoxyphenyl)methyl]-; 2-amino-5-(4-methoxybenzyl)-1,3-thiazole |
IUPAC Name: | 5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine |
Description: | 5-[(4-Methoxyphenyl)methyl]-2-thiazolamine is a reagent in the discovery of 2-Amino-5-arylmethyl-1,3-thiazole derivative as potential therapeutic agents for prostate cancer. |
Molecular Weight: | 220.29 |
Molecular Formula: | C11H12N2OS |
Canonical SMILES: | COC1=CC=C(C=C1)CC2=CN=C(S2)N |
InChI: | InChI=1S/C11H12N2OS/c1-14-9-4-2-8(3-5-9)6-10-7-13-11(12)15-10/h2-5,7H,6H2,1H3,(H2,12,13) |
InChI Key: | MSYFQOUPMXMROC-UHFFFAOYSA-N |
Solubility: | 31.8 ug/ml |
References: | Krasavin, M., et al. Arch. Pharm. (Weinheim), 342, 420-427 (2009). |
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: | 195 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.06703418 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.06703418 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 76.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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