N-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C16H10F3N5O2S — CID 654450

IUPACN-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccco1)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C16H10F3N5O2S/c17-16(18,19)12-7-10(11-4-2-6-27-11)21-15-22-13(23-24(12)15)14(25)20-8-9-3-1-5-26-9/h1-7H,8H2,(H,20,25)
InChIKeyCJGXFHQJQPWRRG-UHFFFAOYSA-N
MW393.35 g/mol
LogP3.39
Rot. Bonds4

About N-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 654450) has the molecular formula C16H10F3N5O2S and a molecular weight of 393.35 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID654450
Molecular FormulaC16H10F3N5O2S
Molecular Weight393.35 g/mol
Exact Mass393.05
IUPAC NameN-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccco1)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C16H10F3N5O2S/c17-16(18,19)12-7-10(11-4-2-6-27-11)21-15-22-13(23-24(12)15)14(25)20-8-9-3-1-5-26-9/h1-7H,8H2,(H,20,25)
InChIKeyCJGXFHQJQPWRRG-UHFFFAOYSA-N
XLogP3.39
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 654450) is N-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NCc1ccco1)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is CJGXFHQJQPWRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N5O2S/c17-16(18,19)12-7-10(11-4-2-6-27-11)21-15-22-13(23-24(12)15)14(25)20-8-9-3-1-5-26-9/h1-7H,8H2,(H,20,25).
What are the key properties of N-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 393.35 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 654450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).