TL;DR: Cyanamide, (1-((2-chloro-5-thiazolyl)methyl)-1,4,5,6-tetrahydro-2-pyrimidinyl)- (CAS 111988-48-8) is a chemical compound with molecular formula C9H10ClN5S and molecular weight 255.03455 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-yl]cyanamide
Also Known As: Cyanamide, (1-((2-chloro-5-thiazolyl)methyl)-1,4,5,6-tetrahydro-2-pyrimidinyl)-, (1-((2-Chloro-5-thiazolyl)methyl)-1,4,5,6-tetrahydro-2-pyrimidinyl)cyanamide, [1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-yl]cyanamide, {1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-yl}cyanamide
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C9H10ClN5S |
| Molecular Weight | 255.03455 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 92.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.03455 Da |
| Heavy Atoms | 16 |
| Complexity | 325.0 |
| SMILES | C1CN=C(N(C1)CC2=CN=C(S2)Cl)NC#N |
| InChIKey | AUTVPMYJBYPFGZ-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyanamide, (1-((2-chloro-5-thiazolyl)methyl)-1,4,5,6-tetrahydro-2-pyrimidinyl)-. The TPSA of 92.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyanamide, (1-((2-chloro-5-thiazolyl)methyl)-1,4,5,6-tetrahydro-2-pyrimidinyl)-. Following Lipinski's Rule of Five, Cyanamide, (1-((2-chloro-5-thiazolyl)methyl)-1,4,5,6-tetrahydro-2-pyrimidinyl)- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Cyanamide, (1-((2-chloro-5-thiazolyl)methyl)-1,4,5,6-tetrahydro-2-pyrimidinyl)- is 111988-48-8.
The molecular formula of Cyanamide, (1-((2-chloro-5-thiazolyl)methyl)-1,4,5,6-tetrahydro-2-pyrimidinyl)- is C9H10ClN5S.
The molecular weight of Cyanamide, (1-((2-chloro-5-thiazolyl)methyl)-1,4,5,6-tetrahydro-2-pyrimidinyl)- is 255.03455 g/mol.
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