tert-Butyl 5-(3-fluoroisoquinolin-6-yl)-1,3,4-thiadiazol-2-ylcarbamate

HCID 68360231
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Basic information

Standard SMILES
CC(C)(C)OC(=O)Nc1nnc(-c2ccc3cnc(F)cc3c2)s1
InChIKey
ILEILCINHKOGAB-UHFFFAOYSA-N
Molecular formula
C16H15FN4O2S
Average molar mass
346.4 g/mol
Monoisotopic mass
346.08997507

Names & identifiers

Preferred name
tert-Butyl 5-(3-fluoroisoquinolin-6-yl)-1,3,4-thiadiazol-2-ylcarbamate
IUPAC
tert-butyl N-[5-(3-fluoroisoquinolin-6-yl)-1,3,4-thiadiazol-2-yl]carbamate

Names & synonyms

SCHEMBL12706266ILEILCINHKOGAB-UHFFFAOYSA-Ntert-Butyl 5-(3-fluoroisoquinolin-6-yl)-1,3,4-thiadiazol-2-ylcarbamate

Database identifiers

PubChem CID
68360231

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
105 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
24

Related reactions

1 records
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Compound notes

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