TL;DR: 2-(4-chloro-3-methylpyrazol-1-yl)-N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CAS 1005658-77-4) is a chemical compound with molecular formula C14H14ClN5O2S and molecular weight 351.05566 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-chloro-3-methylpyrazol-1-yl)-N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
Also Known As: 2-(4-chloro-3-methylpyrazol-1-yl)-N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide, 2-(4-chloro-3-methyl-1H-pyrazol-1-yl)-N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetamide, 2-(4-CHLORO-3-METHYL-1H-PYRAZOL-1-YL)-N-[2,6-DIMETHYL-4-OXOTHIENO[2,3-D]PYRIMIDIN-3(4H)-YL]ACETAMIDE
| Molecular Formula | C14H14ClN5O2S |
| Molecular Weight | 351.05566 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 351.05566 Da |
| Heavy Atoms | 23 |
| Complexity | 545.0 |
| SMILES | CC1=CC2=C(S1)N=C(N(C2=O)NC(=O)CN3C=C(C(=N3)C)Cl)C |
| InChIKey | YAKYQAKLJPMKNH-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-chloro-3-methylpyrazol-1-yl)-N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-chloro-3-methylpyrazol-1-yl)-N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide. Following Lipinski's Rule of Five, 2-(4-chloro-3-methylpyrazol-1-yl)-N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has 1 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 2-(4-chloro-3-methylpyrazol-1-yl)-N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is 1005658-77-4.
The molecular formula of 2-(4-chloro-3-methylpyrazol-1-yl)-N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is C14H14ClN5O2S.
The molecular weight of 2-(4-chloro-3-methylpyrazol-1-yl)-N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is 351.05566 g/mol.
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