2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide

C17H17ClF3N5O2S — CID 55494508

IUPAC2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
SMILESCCCCC(Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)Nc1cc(C)on1
InChIInChI=1S/C17H17ClF3N5O2S/c1-3-4-5-12(15(27)22-13-6-9(2)28-25-13)29-16-24-23-14-11(18)7-10(8-26(14)16)17(19,20)21/h6-8,12H,3-5H2,1-2H3,(H,22,25,27)
InChIKeyCOXYUWVRYLNQMM-UHFFFAOYSA-N
MW447.87 g/mol
LogP4.99
Rot. Bonds7

About 2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide

2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide (PubChem CID 55494508) has the molecular formula C17H17ClF3N5O2S and a molecular weight of 447.87 g/mol. Its IUPAC name is 2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide.

Molecular Properties

Compound Name2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
PubChem CID55494508
Molecular FormulaC17H17ClF3N5O2S
Molecular Weight447.87 g/mol
Exact Mass447.07
IUPAC Name2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
SMILESCCCCC(Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)Nc1cc(C)on1
InChIInChI=1S/C17H17ClF3N5O2S/c1-3-4-5-12(15(27)22-13-6-9(2)28-25-13)29-16-24-23-14-11(18)7-10(8-26(14)16)17(19,20)21/h6-8,12H,3-5H2,1-2H3,(H,22,25,27)
InChIKeyCOXYUWVRYLNQMM-UHFFFAOYSA-N
XLogP4.99
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.87
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide with MolForge

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]hexanamide
CID 55515866
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
CID 17441380
(2S)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
CID 40792069
2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
CID 17446892
(2S)-2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 40789721
(2R)-N-carbamoyl-2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-methylbutanamide
CID 7870662
(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-(5-methyl-1,2-oxazol-3-yl)-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylhexanamide
CID 51317607
1-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3,3-dimethylbutan-2-one
CID 52890870
N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]butanamide
CID 17481577
2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
CID 55546372
N-(5-methyl-1,2-oxazol-3-yl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide
CID 31611068

Frequently Asked Questions

What is the IUPAC name of 2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide?
The IUPAC name of 2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide (CID 55494508) is 2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide.
What is the SMILES notation for 2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide?
The canonical SMILES for 2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide is CCCCC(Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)Nc1cc(C)on1.
What is the InChIKey of 2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide?
The InChIKey is COXYUWVRYLNQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3N5O2S/c1-3-4-5-12(15(27)22-13-6-9(2)28-25-13)29-16-24-23-14-11(18)7-10(8-26(14)16)17(19,20)21/h6-8,12H,3-5H2,1-2H3,(H,22,25,27).
What are the key properties of 2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide?
2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide has a molecular weight of 447.87 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide is sourced from PubChem (CID 55494508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).