3-[6-chloro-2(3H)-benzothiazolon-5-yl]-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one

HCID 14280640

Basic information

Standard SMILES
CC(C)(C)c1nn(-c2cc3[nH]c(=O)sc3cc2Cl)c(=O)o1
InChIKey
HYIGPSVEGBBHFM-UHFFFAOYSA-N
Molecular formula
C13H12ClN3O3S
Average molar mass
325.77 g/mol

Names & identifiers

Preferred name
3-[6-chloro-2(3H)-benzothiazolon-5-yl]-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one
IUPAC
5-tert-butyl-3-(6-chloro-2-oxo-3H-1,3-benzothiazol-5-yl)-1,3,4-oxadiazol-2-one

Names & synonyms

SCHEMBL9378146HYIGPSVEGBBHFM-UHFFFAOYSA-N3-[6-chloro-2(3H)-benzothiazolon-5-yl]-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one3-[6-chloro-2(3H)-benzothiazolon-5-yl]-5-(1,1-dimethylethyl) -1,3,4-oxadiazol-2(3H)-one

Database identifiers

PubChem CID
14280640

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
96.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
21

Related reactions

4 records

Compound notes

Loading…