Ethyl cis(+/-)-2-(4-{[(4,5-dichloro-1H-imidazol-2-yl)carbonyl]amino}-3-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylate

HCID 86648461
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Basic information

Standard SMILES
CCOC(=O)c1cnc(N2CC[C@H](NC(=O)c3nc(Cl)c(Cl)[nH]3)[C@H](OC)C2)s1
InChIKey
YNQBYVDYIFOEES-DTWKUNHWSA-N
Molecular formula
C16H19Cl2N5O4S
Average molar mass
448.3 g/mol
Monoisotopic mass
447.0534807

Names & identifiers

Preferred name
Ethyl cis(+/-)-2-(4-{[(4,5-dichloro-1H-imidazol-2-yl)carbonyl]amino}-3-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylate
IUPAC
ethyl 2-[(3R,4S)-4-[(4,5-dichloro-1H-imidazole-2-carbonyl)amino]-3-methoxypiperidin-1-yl]-1,3-thiazole-5-carboxylate

Names & synonyms

YNQBYVDYIFOEES-DTWKUNHWSA-NEthyl cis(+/-)-2-(4-{[(4,5-dichloro-1H-imidazol-2-yl)carbonyl]amino}-3-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylate

Database identifiers

PubChem CID
86648461

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
138 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
28

Related reactions

2 records
New reaction record

Compound notes

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