N-Ethyl-N'-[6-(2H-1,2,3,4-tetraazol-5-yl)-1,3-benzothiazol-2-yl]urea

HCID 21985643
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Basic information

Standard SMILES
CCNC(=O)Nc1nc2ccc(-c3nn[nH]n3)cc2s1
InChIKey
RFFCTHBESHOPCS-UHFFFAOYSA-N
Molecular formula
C11H11N7OS
Average molar mass
289.32 g/mol

Names & identifiers

Preferred name
N-Ethyl-N'-[6-(2H-1,2,3,4-tetraazol-5-yl)-1,3-benzothiazol-2-yl]urea
IUPAC
1-ethyl-3-[6-(2H-tetrazol-5-yl)-1,3-benzothiazol-2-yl]urea

Names & synonyms

SCHEMBL6068243RFFCTHBESHOPCS-UHFFFAOYSA-NN-Ethyl-N'-[6-(2H-1,2,3,4-tetraazol-5-yl)-1,3-benzothiazol-2-yl]urea

Database identifiers

PubChem CID
21985643

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
137 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
20

Related reactions

1 records
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Compound notes

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