2-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole

C15H12F6N6OS — CID 86297871

IUPAC2-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)Cc1cc2c(N3CCN(c4nnc(C(F)(F)F)o4)CC3)ncnc2s1
InChIInChI=1S/C15H12F6N6OS/c16-14(17,18)6-8-5-9-10(22-7-23-11(9)29-8)26-1-3-27(4-2-26)13-25-24-12(28-13)15(19,20)21/h5,7H,1-4,6H2
InChIKeyKCQPEJMYBSYJAS-UHFFFAOYSA-N
MW438.36 g/mol
LogP3.52
Rot. Bonds3

About 2-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole

2-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 86297871) has the molecular formula C15H12F6N6OS and a molecular weight of 438.36 g/mol. Its IUPAC name is 2-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID86297871
Molecular FormulaC15H12F6N6OS
Molecular Weight438.36 g/mol
Exact Mass438.07
IUPAC Name2-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)Cc1cc2c(N3CCN(c4nnc(C(F)(F)F)o4)CC3)ncnc2s1
InChIInChI=1S/C15H12F6N6OS/c16-14(17,18)6-8-5-9-10(22-7-23-11(9)29-8)26-1-3-27(4-2-26)13-25-24-12(28-13)15(19,20)21/h5,7H,1-4,6H2
InChIKeyKCQPEJMYBSYJAS-UHFFFAOYSA-N
XLogP3.52
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.36
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole with MolForge

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Related Compounds

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CID 86297674
CID 86298079
CID 86298079
CID 156013161
CID 156013161
CID 156017454
CID 156017454
CID 10109037
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CID 51001298
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CID 86297875
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CID 6602657
CID 6602657

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 86297871) is 2-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole is FC(F)(F)Cc1cc2c(N3CCN(c4nnc(C(F)(F)F)o4)CC3)ncnc2s1.
What is the InChIKey of 2-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is KCQPEJMYBSYJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F6N6OS/c16-14(17,18)6-8-5-9-10(22-7-23-11(9)29-8)26-1-3-27(4-2-26)13-25-24-12(28-13)15(19,20)21/h5,7H,1-4,6H2.
What are the key properties of 2-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 438.36 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 86297871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).