2-{[(5-amino-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-amino-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-amino-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: | C679-3487 |
| Compound Name: | 2-{[(5-amino-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: | 351.47 |
| Molecular Formula: | C13 H13 N5 O S3 |
| Smiles: | C1CCC2=C(C1)N1C(=NC(CSc3nnc(N)s3)=CC1=O)S2 |
| Stereo: | ACHIRAL |
| logP: | 1.5615 |
| logD: | 1.5615 |
| logSw: | -1.7344 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.766 |
| InChI Key: | VIGMYHYKGKQYCH-UHFFFAOYSA-N |