Methyl 2-Thiazolecarboxylate - CAS 55842-56-3
Catalog: |
BB029194 |
Product Name: |
Methyl 2-Thiazolecarboxylate |
CAS: |
55842-56-3 |
Synonyms: |
2-thiazolecarboxylic acid methyl ester; methyl 1,3-thiazole-2-carboxylate |
IUPAC Name: | methyl 1,3-thiazole-2-carboxylate |
Description: | Methyl 2-Thiazolecarboxylate (CAS# 55842-56-3) is a useful research chemical. |
Molecular Weight: | 143.16 |
Molecular Formula: | C5H5NO2S |
Canonical SMILES: | COC(=O)C1=NC=CS1 |
InChI: | InChI=1S/C5H5NO2S/c1-8-5(7)4-6-2-3-9-4/h2-3H,1H3 |
InChI Key: | YRMZUOPMHMPNPG-UHFFFAOYSA-N |
Appearance: | Solid |
MDL: | MFCD18075580 |
LogP: | 0.92970 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020102576-A1 | Compounds and compositions for treating conditions associated with nlrp activity | 20181116 |
TW-202033504-A | Compounds and compositions for treating conditions associated with nlrp activity | 20181116 |
EP-3880659-A1 | Compounds and compositions for treating conditions associated with nlrp activity | 20181116 |
WO-2020102098-A1 | Compounds and compositions for treating conditions associated with nlrp activity | 20181113 |
CN-113015730-A | Compounds and compositions for treating conditions associated with NLRP activity | 20181113 |
PMID | Publication Date | Title | Journal |
11564558 | 20010901 | Epothilone biosynthesis: assembly of the methylthiazolylcarboxy starter unit on the EpoB subunit | Chemistry & biology |
Complexity: | 118 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 143.00409958 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 143.00409958 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 67.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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