TL;DR: Cyanamide, [3-[(2-chloro-5-thiazolyl)methyl]-2-thiazolidinylidene]- (CAS 111988-51-3) is a chemical compound with molecular formula C8H7ClN4S2 and molecular weight 257.98007 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide
Also Known As: Cyanamide, [3-[(2-chloro-5-thiazolyl)methyl]-2-thiazolidinylidene]-, [3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide, Cyanamide,[3-[(2-chloro-5-thiazolyl)methyl]-2-thiazolidinylidene], (Z)-N-{3-[(2-Chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2- ylidene}cyanamide, {(2Z)-3-[(2-Chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide
| Molecular Formula | C8H7ClN4S2 |
| Molecular Weight | 257.98007 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.98007 Da |
| Heavy Atoms | 15 |
| Complexity | 313.0 |
| SMILES | C1CSC(=NC#N)N1CC2=CN=C(S2)Cl |
| InChIKey | RUXHRNZZERQELK-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyanamide, [3-[(2-chloro-5-thiazolyl)methyl]-2-thiazolidinylidene]-. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyanamide, [3-[(2-chloro-5-thiazolyl)methyl]-2-thiazolidinylidene]-. Following Lipinski's Rule of Five, Cyanamide, [3-[(2-chloro-5-thiazolyl)methyl]-2-thiazolidinylidene]- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Cyanamide, [3-[(2-chloro-5-thiazolyl)methyl]-2-thiazolidinylidene]- is 111988-51-3.
The molecular formula of Cyanamide, [3-[(2-chloro-5-thiazolyl)methyl]-2-thiazolidinylidene]- is C8H7ClN4S2.
The molecular weight of Cyanamide, [3-[(2-chloro-5-thiazolyl)methyl]-2-thiazolidinylidene]- is 257.98007 g/mol.
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