2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole

C18H15F3N8S — CID 139343363

IUPAC2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole
SMILESFC(F)(F)c1cn2c(-c3nccc(N4CCCC(c5nncs5)C4)n3)cnc2cn1
InChIInChI=1S/C18H15F3N8S/c19-18(20,21)13-9-29-12(6-24-15(29)7-23-13)16-22-4-3-14(26-16)28-5-1-2-11(8-28)17-27-25-10-30-17/h3-4,6-7,9-11H,1-2,5,8H2
InChIKeyXAVAPXYYGTVEMS-UHFFFAOYSA-N
MW432.44 g/mol
LogP3.44
Rot. Bonds3

About 2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole

2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole (PubChem CID 139343363) has the molecular formula C18H15F3N8S and a molecular weight of 432.44 g/mol. Its IUPAC name is 2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole
PubChem CID139343363
Molecular FormulaC18H15F3N8S
Molecular Weight432.44 g/mol
Exact Mass432.11
IUPAC Name2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole
SMILESFC(F)(F)c1cn2c(-c3nccc(N4CCCC(c5nncs5)C4)n3)cnc2cn1
InChIInChI=1S/C18H15F3N8S/c19-18(20,21)13-9-29-12(6-24-15(29)7-23-13)16-22-4-3-14(26-16)28-5-1-2-11(8-28)17-27-25-10-30-17/h3-4,6-7,9-11H,1-2,5,8H2
InChIKeyXAVAPXYYGTVEMS-UHFFFAOYSA-N
XLogP3.44
TPSA84.99 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole (CID 139343363) is 2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole is FC(F)(F)c1cn2c(-c3nccc(N4CCCC(c5nncs5)C4)n3)cnc2cn1.
What is the InChIKey of 2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole?
The InChIKey is XAVAPXYYGTVEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N8S/c19-18(20,21)13-9-29-12(6-24-15(29)7-23-13)16-22-4-3-14(26-16)28-5-1-2-11(8-28)17-27-25-10-30-17/h3-4,6-7,9-11H,1-2,5,8H2.
What are the key properties of 2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole?
2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole has a molecular weight of 432.44 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 139343363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).