2-thiophen-3-yl-N-[[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide

C14H15F3N4OS — CID 129356841

IUPAC2-thiophen-3-yl-N-[[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
SMILESO=C(Cc1ccsc1)NCc1nnc2n1CC[C@@H](C(F)(F)F)C2
InChIInChI=1S/C14H15F3N4OS/c15-14(16,17)10-1-3-21-11(6-10)19-20-12(21)7-18-13(22)5-9-2-4-23-8-9/h2,4,8,10H,1,3,5-7H2,(H,18,22)/t10-/m1/s1
InChIKeyISGGHPKYAIEBHH-SNVBAGLBSA-N
MW344.36 g/mol
LogP2.32
Rot. Bonds4

About 2-thiophen-3-yl-N-[[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide

2-thiophen-3-yl-N-[[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide (PubChem CID 129356841) has the molecular formula C14H15F3N4OS and a molecular weight of 344.36 g/mol. Its IUPAC name is 2-thiophen-3-yl-N-[[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-thiophen-3-yl-N-[[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
PubChem CID129356841
Molecular FormulaC14H15F3N4OS
Molecular Weight344.36 g/mol
Exact Mass344.09
IUPAC Name2-thiophen-3-yl-N-[[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
SMILESO=C(Cc1ccsc1)NCc1nnc2n1CC[C@@H](C(F)(F)F)C2
InChIInChI=1S/C14H15F3N4OS/c15-14(16,17)10-1-3-21-11(6-10)19-20-12(21)7-18-13(22)5-9-2-4-23-8-9/h2,4,8,10H,1,3,5-7H2,(H,18,22)/t10-/m1/s1
InChIKeyISGGHPKYAIEBHH-SNVBAGLBSA-N
XLogP2.32
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-thiophen-3-yl-N-[[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide with MolForge

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Related Compounds

2-[4-(trifluoromethoxy)phenyl]-N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
CID 129358054
2-(1-methylindol-3-yl)-N-[[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
CID 129357884
2-propyl-N-[[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pentanamide
CID 136560413
1-methyl-2-oxo-N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide
CID 129357847
(2S)-2-phenyl-N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]butanamide
CID 129357478
2-(4-oxoquinazolin-3-yl)-N-[[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
CID 129357905
2-oxo-N-[[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-quinoline-4-carboxamide
CID 121022039
methyl 3-(thiophen-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate
CID 136557037
N-[[7-(thiophen-3-ylmethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]pyridine-2-carboxamide
CID 42321021
3-(thiophen-3-ylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 166318370
N-[2-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethylamino)ethyl]-2-phenylacetamide
CID 46524812
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
CID 111440828

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-yl-N-[[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide?
The IUPAC name of 2-thiophen-3-yl-N-[[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide (CID 129356841) is 2-thiophen-3-yl-N-[[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-thiophen-3-yl-N-[[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide?
The canonical SMILES for 2-thiophen-3-yl-N-[[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide is O=C(Cc1ccsc1)NCc1nnc2n1CC[C@@H](C(F)(F)F)C2.
What is the InChIKey of 2-thiophen-3-yl-N-[[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide?
The InChIKey is ISGGHPKYAIEBHH-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15F3N4OS/c15-14(16,17)10-1-3-21-11(6-10)19-20-12(21)7-18-13(22)5-9-2-4-23-8-9/h2,4,8,10H,1,3,5-7H2,(H,18,22)/t10-/m1/s1.
What are the key properties of 2-thiophen-3-yl-N-[[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide?
2-thiophen-3-yl-N-[[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide has a molecular weight of 344.36 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-yl-N-[[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide is sourced from PubChem (CID 129356841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).