1-(7-Acetylenyl-2-benzothiazolyl)-3-ethylurea

HCID 21985650
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Basic information

Standard SMILES
C#Cc1cccc2nc(NC(=O)NCC)sc12
InChIKey
JARJQOMJQZZFJC-UHFFFAOYSA-N
Molecular formula
C12H11N3OS
Average molar mass
245.3 g/mol

Names & identifiers

Preferred name
1-(7-Acetylenyl-2-benzothiazolyl)-3-ethylurea
IUPAC
1-ethyl-3-(7-ethynyl-1,3-benzothiazol-2-yl)urea

Names & synonyms

1-(7-Acetylenyl-2-benzothiazolyl)-3-ethylureaSCHEMBL6067763JARJQOMJQZZFJC-UHFFFAOYSA-N

Database identifiers

PubChem CID
21985650

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
82.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
17

Related reactions

2 records
New reaction record

Linked notes

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