4-Acetyl-2-amino-5-methylthiazole - CAS 40353-62-6
Catalog: |
BB024465 |
Product Name: |
4-Acetyl-2-amino-5-methylthiazole |
CAS: |
40353-62-6 |
Synonyms: |
1-(2-amino-5-methyl-4-thiazolyl)ethanone; 1-(2-amino-5-methyl-1,3-thiazol-4-yl)ethanone |
IUPAC Name: | 1-(2-amino-5-methyl-1,3-thiazol-4-yl)ethanone |
Description: | 4-Acetyl-2-amino-5-methylthiazole (CAS# 40353-62-6) is a useful research intermediate for the preparation of aminothiazoles. |
Molecular Weight: | 156.21 |
Molecular Formula: | C6H8N2OS |
Canonical SMILES: | CC1=C(N=C(S1)N)C(=O)C |
InChI: | InChI=1S/C6H8N2OS/c1-3(9)5-4(2)10-6(7)8-5/h1-2H3,(H2,7,8) |
InChI Key: | WKWHVCYMDPRLLR-UHFFFAOYSA-N |
Boiling Point: | 312.8 °C at 760 mmHg |
Density: | 1.278 g/cm3 |
LogP: | 1.81750 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
BR-112016007563-A2 | thiazolopyrimidinones as modulators of nmda activity | 20131011 |
CA-2926830-A1 | Thiazolopyrimidinones as modulators of nmda receptor activity | 20131011 |
DK-3055315-T3 | Thiazolopyrimidinones as modulators of NMDA receptor activity | 20131011 |
EP-3055315-A1 | Thiazolopyrimidinones as modulators of nmda receptor activity | 20131011 |
EP-3055315-B1 | Thiazolopyrimidinones as modulators of nmda receptor activity | 20131011 |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.03573406 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.03573406 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 84.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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