2-[(5-methyl-2-pyridinyl)oxy]-N-(2,3,4,5,6-pentafluorophenyl)sulfanylethanamine

C14H11F5N2OS — CID 156742480

IUPAC2-[(5-methyl-2-pyridinyl)oxy]-N-(2,3,4,5,6-pentafluorophenyl)sulfanylethanamine
SMILESCc1ccc(OCCNSc2c(F)c(F)c(F)c(F)c2F)nc1
InChIInChI=1S/C14H11F5N2OS/c1-7-2-3-8(20-6-7)22-5-4-21-23-14-12(18)10(16)9(15)11(17)13(14)19/h2-3,6,21H,4-5H2,1H3
InChIKeyFDTHNVIWQSGVSK-UHFFFAOYSA-N
MW350.31 g/mol
LogP3.76
Rot. Bonds6

About 2-[(5-methyl-2-pyridinyl)oxy]-N-(2,3,4,5,6-pentafluorophenyl)sulfanylethanamine

2-[(5-methyl-2-pyridinyl)oxy]-N-(2,3,4,5,6-pentafluorophenyl)sulfanylethanamine (PubChem CID 156742480) has the molecular formula C14H11F5N2OS and a molecular weight of 350.31 g/mol. Its IUPAC name is 2-[(5-methyl-2-pyridinyl)oxy]-N-(2,3,4,5,6-pentafluorophenyl)sulfanylethanamine.

Molecular Properties

Compound Name2-[(5-methyl-2-pyridinyl)oxy]-N-(2,3,4,5,6-pentafluorophenyl)sulfanylethanamine
PubChem CID156742480
Molecular FormulaC14H11F5N2OS
Molecular Weight350.31 g/mol
Exact Mass350.05
IUPAC Name2-[(5-methyl-2-pyridinyl)oxy]-N-(2,3,4,5,6-pentafluorophenyl)sulfanylethanamine
SMILESCc1ccc(OCCNSc2c(F)c(F)c(F)c(F)c2F)nc1
InChIInChI=1S/C14H11F5N2OS/c1-7-2-3-8(20-6-7)22-5-4-21-23-14-12(18)10(16)9(15)11(17)13(14)19/h2-3,6,21H,4-5H2,1H3
InChIKeyFDTHNVIWQSGVSK-UHFFFAOYSA-N
XLogP3.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.31
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(5-methyl-2-pyridinyl)oxy]-N-(2,3,4,5,6-pentafluorophenyl)sulfanylethanamine 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

tert-butyl N-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]carbamate
CID 145199582
ethane;N-[3-[(5-methyl-2-pyridinyl)oxy]propyl]-N-methylsulfanylhydroxylamine
CID 143919286
ethyl 4-[(5-methyl-2-pyridinyl)oxy]butanoate
CID 58878874
2-[(5-methoxy-2-pyridinyl)oxy]-N-methylethanamine
CID 106504848
6-[2-(methylamino)ethoxy]pyridine-3-carbonitrile
CID 62349619
5-methyl-2-[(E)-pent-2-enoxy]pyridine
CID 122425875
1-(2-methoxyethyl)-4-[3-[(5-methyl-2-pyridinyl)oxy]propyl]piperazine
CID 135172513
2-fluoro-5-[(5-methyl-2-pyridinyl)oxy]pyridine
CID 146350052
2-fluoro-5-methylpyridine
CID 2774635
ethane;1-ethyl-4-[3-[(5-methyl-2-pyridinyl)oxy]propyl]piperazine;methanol
CID 142390979
5-methyl-2-(1,1,2,2-tetrafluoroethoxy)pyridine
CID 54300208
6-[2-(propan-2-ylamino)ethoxy]pyridine-3-carbonitrile
CID 62348286

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-2-pyridinyl)oxy]-N-(2,3,4,5,6-pentafluorophenyl)sulfanylethanamine?
The IUPAC name of 2-[(5-methyl-2-pyridinyl)oxy]-N-(2,3,4,5,6-pentafluorophenyl)sulfanylethanamine (CID 156742480) is 2-[(5-methyl-2-pyridinyl)oxy]-N-(2,3,4,5,6-pentafluorophenyl)sulfanylethanamine.
What is the SMILES notation for 2-[(5-methyl-2-pyridinyl)oxy]-N-(2,3,4,5,6-pentafluorophenyl)sulfanylethanamine?
The canonical SMILES for 2-[(5-methyl-2-pyridinyl)oxy]-N-(2,3,4,5,6-pentafluorophenyl)sulfanylethanamine is Cc1ccc(OCCNSc2c(F)c(F)c(F)c(F)c2F)nc1.
What is the InChIKey of 2-[(5-methyl-2-pyridinyl)oxy]-N-(2,3,4,5,6-pentafluorophenyl)sulfanylethanamine?
The InChIKey is FDTHNVIWQSGVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F5N2OS/c1-7-2-3-8(20-6-7)22-5-4-21-23-14-12(18)10(16)9(15)11(17)13(14)19/h2-3,6,21H,4-5H2,1H3.
What are the key properties of 2-[(5-methyl-2-pyridinyl)oxy]-N-(2,3,4,5,6-pentafluorophenyl)sulfanylethanamine?
2-[(5-methyl-2-pyridinyl)oxy]-N-(2,3,4,5,6-pentafluorophenyl)sulfanylethanamine has a molecular weight of 350.31 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-2-pyridinyl)oxy]-N-(2,3,4,5,6-pentafluorophenyl)sulfanylethanamine is sourced from PubChem (CID 156742480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).