K1A
Summary
| Name: | 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2(3H)-one |
| Formula: | C9 H11 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 225.268 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2(3H)-one |
| OpenEye OEToolkits | 2.0.6 | 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N1(C(SC(=N1)C)=O)Cc2c(C)noc2C |
| InChI | InChI | 1.03 | InChI=1S/C9H11N3O2S/c1-5-8(6(2)14-11-5)4-12-9(13)15-7(3)10-12/h4H2,1-3H3 |
| InChIKey | InChI | 1.03 | QMZRSGJUZDOFDN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1onc(C)c1CN2N=C(C)SC2=O |
| SMILES | CACTVS | 3.385 | Cc1onc(C)c1CN2N=C(C)SC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(c(on1)C)CN2C(=O)SC(=N2)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(c(on1)C)CN2C(=O)SC(=N2)C |
