cis(+/-)-2-(4-{[(4-Chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-(2-fluoroethoxy)piperidin-1-yl)-1,3-thiazole-5-carboxylic acid
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CCc1[nH]c(C(=O)N[C@H]2CCN(c3ncc(C(=O)O)s3)C[C@H]2OCCF)nc1Cl- InChIKey
IDXNBCPKCBLXMB-WDEREUQCSA-N- Molecular formula
- C17H21ClFN5O4S
- Average molar mass
- 445.9 g/mol
- Monoisotopic mass
- 445.0986812
Names & identifiers
- Preferred name
- cis(+/-)-2-(4-{[(4-Chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-(2-fluoroethoxy)piperidin-1-yl)-1,3-thiazole-5-carboxylic acid
- IUPAC
- 2-[(3R,4S)-4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]-3-(2-fluoroethoxy)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
Names & synonyms
IDXNBCPKCBLXMB-WDEREUQCSA-Ncis(+/-)-2-(4-{[(4-Chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-(2-fluoroethoxy)piperidin-1-yl)-1,3-thiazole-5-carboxylic acid
Database identifiers
- PubChem CID
- 86648643
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 594
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
2 records
Compound notes
Loading…