UDY
6-fluoranyl-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
Created: | 2017-01-27 |
Last modified: | 2017-10-25 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 31 |
Chiral Atom Count | 0 |
Bond Count | 34 |
Aromatic Bond Count | 21 |
Chemical Component Summary | |
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Name | 6-fluoranyl-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine |
Systematic Name (OpenEye OEToolkits) | 6-fluoranyl-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine |
Formula | C15 H9 F N4 S2 |
Molecular Weight | 328.387 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | Fc1ccc2nc(Nc3scc(n3)c4ccccn4)sc2c1 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccnc(c1)c2csc(n2)Nc3nc4ccc(cc4s3)F |
Canonical SMILES | CACTVS | 3.385 | Fc1ccc2nc(Nc3scc(n3)c4ccccn4)sc2c1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | c1ccnc(c1)c2csc(n2)Nc3nc4ccc(cc4s3)F |
InChI | InChI | 1.03 | InChI=1S/C15H9FN4S2/c16-9-4-5-11-13(7-9)22-15(18-11)20-14-19-12(8-21-14)10-3-1-2-6-17-10/h1-8H,(H,18,19,20) |
InChIKey | InChI | 1.03 | CKLUPEBKNDQOFT-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 7086352 |
ChEMBL | CHEMBL587611 |