(2-Amino-thiazol-5-yl)-propynoic acid ethyl ester
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CCOC(=O)C#Cc1cnc(N)s1- InChIKey
OQXMKSRBPVBDHX-UHFFFAOYSA-N- Molecular formula
- C8H8N2O2S
- Average molar mass
- 196.23 g/mol
- Monoisotopic mass
- 196.03064868
Names & identifiers
- Preferred name
- (2-Amino-thiazol-5-yl)-propynoic acid ethyl ester
- IUPAC
- ethyl 3-(2-amino-1,3-thiazol-5-yl)prop-2-ynoate
Names & synonyms
SCHEMBL3768855OQXMKSRBPVBDHX-UHFFFAOYSA-N(2-Amino-thiazol-5-yl)-propynoic acid ethyl ester
Database identifiers
- PubChem CID
- 59610026
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 255
Related reactions
2 records
Compound notes
Loading…