ZVN
Summary
Name: | 2-(piperazin-1-yl)-1,3-benzothiazole |
Formula: | C11 H13 N3 S |
Formal charge: | 0 |
Formula weight: | 219.306 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 2-(piperazin-1-yl)-1,3-benzothiazole |
OpenEye OEToolkits | 2.0.7 | 2-piperazin-1-yl-1,3-benzothiazole |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1cccc2sc(nc12)N1CCNCC1 |
InChI | InChI | 1.06 | InChI=1S/C11H13N3S/c1-2-4-10-9(3-1)13-11(15-10)14-7-5-12-6-8-14/h1-4,12H,5-8H2 |
InChIKey | InChI | 1.06 | LLQMZXMBCQNMJV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C1CN(CCN1)c2sc3ccccc3n2 |
SMILES | CACTVS | 3.385 | C1CN(CCN1)c2sc3ccccc3n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)nc(s2)N3CCNCC3 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)nc(s2)N3CCNCC3 |