2-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Chemical Structure Depiction of
2-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
2-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Compound characteristics
| Compound ID: | C679-3475 |
| Compound Name: | 2-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one |
| Molecular Weight: | 350.48 |
| Molecular Formula: | C14 H14 N4 O S3 |
| Smiles: | Cc1nnc(SCC2=CC(N3C4CCCCC=4SC3=N2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.0429 |
| logD: | 2.0429 |
| logSw: | -1.9274 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.775 |
| InChI Key: | BEKOLDKPPPDFFX-UHFFFAOYSA-N |