![methyl 3-{[4-(pyrimidin-2-yl)piperazine-1-carbothioyl]amino}thiophene-2-carboxylate structure](/static/products/1022/1022587-39-8.webp)
methyl 3-{[4-(pyrimidin-2-yl)piperazine-1-carbothioyl]amino}thiophene-2-carboxylate
TL;DR: methyl 3-{[4-(pyrimidin-2-yl)piperazine-1-carbothioyl]amino}thiophene-2-carboxylate (CAS 1022587-39-8) is a chemical compound with molecular formula C15H17N5O2S2 and molecular weight 363.08237 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-[(4-pyrimidin-2-ylpiperazine-1-carbothioyl)amino]thiophene-2-carboxylate
Also Known As: methyl 3-{[4-(pyrimidin-2-yl)piperazine-1-carbothioyl]amino}thiophene-2-carboxylate, Methyl 3-[(4-pyrimidin-2-ylpiperazine-1-carbothioyl)amino]thiophene-2-carboxylate, METHYL 3-(((4-PYRIMIDIN-2-YLPIPERAZINYL)THIOXOMETHYL)AMINO)THIOPHENE-2-CARBOXYLATE, methyl 3-({[4-(2-pyrimidinyl)piperazino]carbothioyl}amino)-2-thiophenecarboxylate, Methyl 3-({4-(2-pyrimidinyl)piperazinocarbothioyl}amino)-2-thiophenecarboxylate
Technical Specifications
| Molecular Formula | C15H17N5O2S2 |
| Molecular Weight | 363.08237 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 131.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.08237 Da |
| Heavy Atoms | 24 |
| Complexity | 453.0 |
| SMILES | COC(=O)C1=C(C=CS1)NC(=S)N2CCN(CC2)C3=NC=CC=N3 |
| InChIKey | BPCJPOZTFCVIEX-UHFFFAOYSA-N |
Chemical Property Profile of methyl 3-{[4-(pyrimidin-2-yl)piperazine-1-carbothioyl]amino}thiophene-2-carboxylate
Property Insights of methyl 3-{[4-(pyrimidin-2-yl)piperazine-1-carbothioyl]amino}thiophene-2-carboxylate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-{[4-(pyrimidin-2-yl)piperazine-1-carbothioyl]amino}thiophene-2-carboxylate. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-{[4-(pyrimidin-2-yl)piperazine-1-carbothioyl]amino}thiophene-2-carboxylate. Following Lipinski's Rule of Five, methyl 3-{[4-(pyrimidin-2-yl)piperazine-1-carbothioyl]amino}thiophene-2-carboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of methyl 3-{[4-(pyrimidin-2-yl)piperazine-1-carbothioyl]amino}thiophene-2-carboxylate?
The CAS number of methyl 3-{[4-(pyrimidin-2-yl)piperazine-1-carbothioyl]amino}thiophene-2-carboxylate is 1022587-39-8.
What is the molecular formula of methyl 3-{[4-(pyrimidin-2-yl)piperazine-1-carbothioyl]amino}thiophene-2-carboxylate?
The molecular formula of methyl 3-{[4-(pyrimidin-2-yl)piperazine-1-carbothioyl]amino}thiophene-2-carboxylate is C15H17N5O2S2.
What is the molecular weight of methyl 3-{[4-(pyrimidin-2-yl)piperazine-1-carbothioyl]amino}thiophene-2-carboxylate?
The molecular weight of methyl 3-{[4-(pyrimidin-2-yl)piperazine-1-carbothioyl]amino}thiophene-2-carboxylate is 363.08237 g/mol.
Where can I buy methyl 3-{[4-(pyrimidin-2-yl)piperazine-1-carbothioyl]amino}thiophene-2-carboxylate?
You can request a quote for methyl 3-{[4-(pyrimidin-2-yl)piperazine-1-carbothioyl]amino}thiophene-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl 3-{[4-(pyrimidin-2-yl)piperazine-1-carbothioyl]amino}thiophene-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for methyl 3-{[4-(pyrimidin-2-yl)piperazine-1-carbothioyl]amino}thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.