| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2008 | 10 | No |
Popular Name: N-(4-Oxo-4,5-dihydro-1,3-thiazol-2-yl)guanidine N-(4-Oxo-4,5-dihydro-1,3-thiazol…
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CAS Numbers: , 41812-62-8 , [41812-62-8]
guanidine, N-(4,5-dihydro-4-oxo-2-thiazolyl)-
N-[(2E)-4-OXO-1,3-THIAZOLDIDIN-2-YLIDENE]GUANIDINE
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -1.34 | 0.77 | -11.73 | 4 | 5 | 0 | 94 | 158.186 | 1 | ↓ |
| Ref Reference (pH 7) | -1.21 | 0.49 | -10.13 | 5 | 5 | 0 | 93 | 159.194 | 1 | ↓ |
| Hi High (pH 8-9.5) | -1.34 | 0.38 | -36.77 | 3 | 5 | -1 | 91 | 157.178 | 1 | ↓ |
| Hi High (pH 8-9.5) | -1.34 | 0.8 | -30.69 | 3 | 5 | -1 | 91 | 157.178 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.