3-methyl-5-[[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

C20H20N6OS — CID 43069746

IUPAC3-methyl-5-[[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1noc(CN2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)n1
InChIInChI=1S/C20H20N6OS/c1-14-23-17(27-24-14)11-25-7-9-26(10-8-25)19-18-16(15-5-3-2-4-6-15)12-28-20(18)22-13-21-19/h2-6,12-13H,7-11H2,1H3
InChIKeyICUFUMFXQACADU-UHFFFAOYSA-N
MW392.49 g/mol
LogP3.37
Rot. Bonds4

About 3-methyl-5-[[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

3-methyl-5-[[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 43069746) has the molecular formula C20H20N6OS and a molecular weight of 392.49 g/mol. Its IUPAC name is 3-methyl-5-[[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID43069746
Molecular FormulaC20H20N6OS
Molecular Weight392.49 g/mol
Exact Mass392.14
IUPAC Name3-methyl-5-[[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1noc(CN2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)n1
InChIInChI=1S/C20H20N6OS/c1-14-23-17(27-24-14)11-25-7-9-26(10-8-25)19-18-16(15-5-3-2-4-6-15)12-28-20(18)22-13-21-19/h2-6,12-13H,7-11H2,1H3
InChIKeyICUFUMFXQACADU-UHFFFAOYSA-N
XLogP3.37
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-methyl-5-[[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-methyl-5-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 55885848
4-(4-benzylpiperazin-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine
CID 1189434
4-(4-benzylpiperazin-1-yl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine
CID 16553301
2-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetonitrile
CID 23736071
4-(azepan-1-yl)-5-phenylthieno[2,3-d]pyrimidine
CID 758218
5-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 1186225
4-(4-methylpiperidin-1-yl)-5-phenylthieno[2,3-d]pyrimidine
CID 675438
5-phenyl-4-piperazin-4-ium-1-ylthieno[2,3-d]pyrimidine
CID 6922306
4-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine
CID 6988753
[4-amino-1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol
CID 71931211
4-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine
CID 55680748
5-(4-methoxyphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)thieno[2,3-d]pyrimidine
CID 8894309

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 43069746) is 3-methyl-5-[[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is Cc1noc(CN2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)n1.
What is the InChIKey of 3-methyl-5-[[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is ICUFUMFXQACADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6OS/c1-14-23-17(27-24-14)11-25-7-9-26(10-8-25)19-18-16(15-5-3-2-4-6-15)12-28-20(18)22-13-21-19/h2-6,12-13H,7-11H2,1H3.
What are the key properties of 3-methyl-5-[[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
3-methyl-5-[[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 392.49 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 43069746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).