(2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]propanamide

C15H17F3N4O2S — CID 31611934

IUPAC(2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]propanamide
SMILESC[C@@H](Sc1nnc2ccc(C(F)(F)F)cn12)C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C15H17F3N4O2S/c1-9(13(23)19-7-11-3-2-6-24-11)25-14-21-20-12-5-4-10(8-22(12)14)15(16,17)18/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,19,23)/t9-,11-/m1/s1
InChIKeyRBXAAKRDVSSUOK-MWLCHTKSSA-N
MW374.39 g/mol
LogP2.52
Rot. Bonds5

About (2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]propanamide

(2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]propanamide (PubChem CID 31611934) has the molecular formula C15H17F3N4O2S and a molecular weight of 374.39 g/mol. Its IUPAC name is (2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]propanamide
PubChem CID31611934
Molecular FormulaC15H17F3N4O2S
Molecular Weight374.39 g/mol
Exact Mass374.10
IUPAC Name(2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]propanamide
SMILESC[C@@H](Sc1nnc2ccc(C(F)(F)F)cn12)C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C15H17F3N4O2S/c1-9(13(23)19-7-11-3-2-6-24-11)25-14-21-20-12-5-4-10(8-22(12)14)15(16,17)18/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,19,23)/t9-,11-/m1/s1
InChIKeyRBXAAKRDVSSUOK-MWLCHTKSSA-N
XLogP2.52
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 94270864
N-cyclopentyl-3-methyl-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]butanamide
CID 86920617
(2R)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 40798897
2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(oxolan-2-ylmethyl)propanamide
CID 17463382
(2S)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 40810513
(2R)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 42051872
(2S)-2-[[4-amino-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 51439041
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide
CID 18201879
(2S)-2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 40719398
(2S)-2-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40858495
N-(oxolan-2-ylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 18078012
2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)propanamide
CID 18129224

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]propanamide?
The IUPAC name of (2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]propanamide (CID 31611934) is (2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]propanamide?
The canonical SMILES for (2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]propanamide is C[C@@H](Sc1nnc2ccc(C(F)(F)F)cn12)C(=O)NC[C@H]1CCCO1.
What is the InChIKey of (2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]propanamide?
The InChIKey is RBXAAKRDVSSUOK-MWLCHTKSSA-N. The full InChI is InChI=1S/C15H17F3N4O2S/c1-9(13(23)19-7-11-3-2-6-24-11)25-14-21-20-12-5-4-10(8-22(12)14)15(16,17)18/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,19,23)/t9-,11-/m1/s1.
What are the key properties of (2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]propanamide?
(2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]propanamide has a molecular weight of 374.39 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]propanamide is sourced from PubChem (CID 31611934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).