[3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone

C16H15F2N5OS — CID 110235249

IUPAC[3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCCC(c2cc(C(F)F)n3ncnc3n2)C1
InChIInChI=1S/C16H15F2N5OS/c17-14(18)12-7-11(21-16-19-9-20-23(12)16)10-3-1-5-22(8-10)15(24)13-4-2-6-25-13/h2,4,6-7,9-10,14H,1,3,5,8H2
InChIKeyQFALRPFQXSOLLR-UHFFFAOYSA-N
MW363.39 g/mol
LogP3.14
Rot. Bonds3

About [3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone

[3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 110235249) has the molecular formula C16H15F2N5OS and a molecular weight of 363.39 g/mol. Its IUPAC name is [3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID110235249
Molecular FormulaC16H15F2N5OS
Molecular Weight363.39 g/mol
Exact Mass363.10
IUPAC Name[3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCCC(c2cc(C(F)F)n3ncnc3n2)C1
InChIInChI=1S/C16H15F2N5OS/c17-14(18)12-7-11(21-16-19-9-20-23(12)16)10-3-1-5-22(8-10)15(24)13-4-2-6-25-13/h2,4,6-7,9-10,14H,1,3,5,8H2
InChIKeyQFALRPFQXSOLLR-UHFFFAOYSA-N
XLogP3.14
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone (CID 110235249) is [3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCCC(c2cc(C(F)F)n3ncnc3n2)C1.
What is the InChIKey of [3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is QFALRPFQXSOLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5OS/c17-14(18)12-7-11(21-16-19-9-20-23(12)16)10-3-1-5-22(8-10)15(24)13-4-2-6-25-13/h2,4,6-7,9-10,14H,1,3,5,8H2.
What are the key properties of [3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone?
[3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 363.39 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 110235249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).