N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]-2-methoxyethanamine

C11H18F2N2O2S — CID 103151337

IUPACN-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1csc(CCOCC(F)F)n1
InChIInChI=1S/C11H18F2N2O2S/c1-16-5-3-14-6-9-8-18-11(15-9)2-4-17-7-10(12)13/h8,10,14H,2-7H2,1H3
InChIKeyUXLSFLDNMRZGSN-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.70
Rot. Bonds10

About N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]-2-methoxyethanamine

N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]-2-methoxyethanamine (PubChem CID 103151337) has the molecular formula C11H18F2N2O2S and a molecular weight of 280.34 g/mol. Its IUPAC name is N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]-2-methoxyethanamine
PubChem CID103151337
Molecular FormulaC11H18F2N2O2S
Molecular Weight280.34 g/mol
Exact Mass280.11
IUPAC NameN-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1csc(CCOCC(F)F)n1
InChIInChI=1S/C11H18F2N2O2S/c1-16-5-3-14-6-9-8-18-11(15-9)2-4-17-7-10(12)13/h8,10,14H,2-7H2,1H3
InChIKeyUXLSFLDNMRZGSN-UHFFFAOYSA-N
XLogP1.70
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]-2-methoxyethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]-2-methoxyethanamine (CID 103151337) is N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]-2-methoxyethanamine is COCCNCc1csc(CCOCC(F)F)n1.
What is the InChIKey of N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is UXLSFLDNMRZGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O2S/c1-16-5-3-14-6-9-8-18-11(15-9)2-4-17-7-10(12)13/h8,10,14H,2-7H2,1H3.
What are the key properties of N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]-2-methoxyethanamine?
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 280.34 g/mol, XLogP of 1.70, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 103151337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).