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Ethyl 6-(2-{[(1,1-dimethylethoxy)carbonyl]amino}thiazol-4-yl)imidazo[1,2-a]pyridine-2-carboxylate

HCID 44136202
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCOC(=O)c1cn2cc(-c3csc(NC(=O)OC(C)(C)C)n3)ccc2n1
InChIKey
MCRALZYGDCBCGN-UHFFFAOYSA-N
Molecular formula
C18H20N4O4S
Average molar mass
388.4 g/mol

Names & identifiers

Preferred name
Ethyl 6-(2-{[(1,1-dimethylethoxy)carbonyl]amino}thiazol-4-yl)imidazo[1,2-a]pyridine-2-carboxylate
IUPAC
ethyl 6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-2-carboxylate

Names & synonyms

SCHEMBL3773727MCRALZYGDCBCGN-UHFFFAOYSA-Nethyl 6-(2-{[(1,1-dimethylethoxy)carbonyl]amino}thiazol-4-yl)imidazo[1,2-a]pyridine-2-carboxylate

Database identifiers

PubChem CID
44136202

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
123 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
27
Formal charge
0
Complexity
556

Related reactions

3 records
New reaction record
HRID 1215033 reaction equation
HRID 1215033As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1878483 reaction equation
HRID 1878483As reactantuspto-grants-2012_11
HRID 2363735 reaction equation
HRID 2363735As reactantuspto-grants-2014_04

Compound notes

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