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

C10H16F2N2OS — CID 103150137

IUPAC1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1csc(CCOCC(F)F)n1
InChIInChI=1S/C10H16F2N2OS/c1-7(13-2)8-6-16-10(14-8)3-4-15-5-9(11)12/h6-7,9,13H,3-5H2,1-2H3
InChIKeyLSSQYYHOFCPGAF-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.25
Rot. Bonds7

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

1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-methylethanamine (PubChem CID 103150137) has the molecular formula C10H16F2N2OS and a molecular weight of 250.31 g/mol. Its IUPAC name is 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-methylethanamine
PubChem CID103150137
Molecular FormulaC10H16F2N2OS
Molecular Weight250.31 g/mol
Exact Mass250.10
IUPAC Name1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1csc(CCOCC(F)F)n1
InChIInChI=1S/C10H16F2N2OS/c1-7(13-2)8-6-16-10(14-8)3-4-15-5-9(11)12/h6-7,9,13H,3-5H2,1-2H3
InChIKeyLSSQYYHOFCPGAF-UHFFFAOYSA-N
XLogP2.25
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-methylethanamine?
The IUPAC name of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-methylethanamine (CID 103150137) is 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-methylethanamine is CNC(C)c1csc(CCOCC(F)F)n1.
What is the InChIKey of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-methylethanamine?
The InChIKey is LSSQYYHOFCPGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2OS/c1-7(13-2)8-6-16-10(14-8)3-4-15-5-9(11)12/h6-7,9,13H,3-5H2,1-2H3.
What are the key properties of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-methylethanamine?
1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-methylethanamine has a molecular weight of 250.31 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 103150137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).