N-[(Z)-(4-chlorophenyl)methylideneamino]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
Formula:C14H9N4O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chlorophenyl)methylideneamino]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide |
| MolecularFormula | C14H9N4O2ClS |
| Smiles | O=C(C(N(C=CS1)C1=N1)=CC1=O)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C14H9ClN4O2S/c15-10-3-1-9(2-4-10)8-16-18-13(21)11-7-12(20)17-14-19(11)5-6-22-14/h1-8H,(H,18,21) |
| InChIK | XJQZUIDVELZHOP-UHFFFAOYSA-N |
| TotalMolweight | 332.77 |
| Molweight | 332.77 |
| MonoisotopicMass | 332.013473 |
| CLogP | 1.8465 |
| CLogS | -4.61 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 235.37 |
| Relative PSA | 0.34669 |
| PolarSurfaceArea | 99.43 |
| Druglikeness | 4.8817 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(4-chlorophenyl)methylideneamino]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide | 2 - N-[(Z)-(4-chlorophenyl)methylideneamino]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
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