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

C20H19N5OS — CID 55885848

IUPAC3-methyl-5-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
SMILESCc1noc(C2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)n1
InChIInChI=1S/C20H19N5OS/c1-13-23-19(26-24-13)15-7-9-25(10-8-15)18-17-16(14-5-3-2-4-6-14)11-27-20(17)22-12-21-18/h2-6,11-12,15H,7-10H2,1H3
InChIKeyWOENKZBMUXPHCP-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.43
Rot. Bonds3

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

3-methyl-5-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole (PubChem CID 55885848) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is 3-methyl-5-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
PubChem CID55885848
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC Name3-methyl-5-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
SMILESCc1noc(C2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)n1
InChIInChI=1S/C20H19N5OS/c1-13-23-19(26-24-13)15-7-9-25(10-8-15)18-17-16(14-5-3-2-4-6-14)11-27-20(17)22-12-21-18/h2-6,11-12,15H,7-10H2,1H3
InChIKeyWOENKZBMUXPHCP-UHFFFAOYSA-N
XLogP4.43
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-(4-methylpiperidin-1-yl)-5-phenylthieno[2,3-d]pyrimidine
CID 675438
3-methyl-5-[[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 43069746
4-(azepan-1-yl)-5-phenylthieno[2,3-d]pyrimidine
CID 758218
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
5-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 1186225
5-[1-[4-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 133281498
[4-amino-1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol
CID 71931211
1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 127024573
4-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine
CID 55680748
2-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetonitrile
CID 23736071
2-[(3R)-4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholin-3-yl]ethanol
CID 97248156

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole (CID 55885848) is 3-methyl-5-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole is Cc1noc(C2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)n1.
What is the InChIKey of 3-methyl-5-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole?
The InChIKey is WOENKZBMUXPHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c1-13-23-19(26-24-13)15-7-9-25(10-8-15)18-17-16(14-5-3-2-4-6-14)11-27-20(17)22-12-21-18/h2-6,11-12,15H,7-10H2,1H3.
What are the key properties of 3-methyl-5-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole?
3-methyl-5-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole has a molecular weight of 377.47 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 55885848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).