|
TMG : Summary
Code
|
TMG
|
One-letter code
|
X
|
Molecule name
|
2-(1,3-THIAZOL-4-YL)-1H-BENZIMIDAZOLE
|
Systematic names
|
|
Formula
|
C10 H7 N3 S
|
Formal charge
|
0
|
Molecular weight
|
201.248 Da
|
SMILES
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
n2c1c(cccc1)nc2c3ncsc3 |
SMILES
|
CACTVS |
3.341 |
[nH]1c2ccccc2nc1c3cscn3 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1ccc2c(c1)[nH]c(n2)c3cscn3 |
Canonical SMILES
|
CACTVS |
3.341 |
[nH]1c2ccccc2nc1c3cscn3 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1ccc2c(c1)[nH]c(n2)c3cscn3 |
|
IUPAC InChI | InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13) |
IUPAC InChI key | WJCNZQLZVWNLKY-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count
|
21 (14 without Hydrogen)
|
Polymer type
|
Bound ligand
|
Type description
|
NON-POLYMER
|
Type code
|
HETAIN
|
Is modified
|
No
|
Standard parent
|
Not Assigned
|
Defined at
|
2005-02-25
|
Last modified at
|
2011-06-04
|
Status
|
Released
|
Obsoleted
|
Not Assigned
|
|