1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-ethylethanamine

C11H18F2N2OS — CID 103150131

IUPAC1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1cnc(CCOCC(F)F)s1
InChIInChI=1S/C11H18F2N2OS/c1-3-14-8(2)9-6-15-11(17-9)4-5-16-7-10(12)13/h6,8,10,14H,3-5,7H2,1-2H3
InChIKeyNDWWJTUJSIJAKZ-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.64
Rot. Bonds8

About 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-ethylethanamine

1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-ethylethanamine (PubChem CID 103150131) has the molecular formula C11H18F2N2OS and a molecular weight of 264.34 g/mol. Its IUPAC name is 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-ethylethanamine
PubChem CID103150131
Molecular FormulaC11H18F2N2OS
Molecular Weight264.34 g/mol
Exact Mass264.11
IUPAC Name1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1cnc(CCOCC(F)F)s1
InChIInChI=1S/C11H18F2N2OS/c1-3-14-8(2)9-6-15-11(17-9)4-5-16-7-10(12)13/h6,8,10,14H,3-5,7H2,1-2H3
InChIKeyNDWWJTUJSIJAKZ-UHFFFAOYSA-N
XLogP2.64
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.64
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-5-yl]-N-ethylethanamine?
The IUPAC name of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-ethylethanamine (CID 103150131) is 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-ethylethanamine?
The canonical SMILES for 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-ethylethanamine is CCNC(C)c1cnc(CCOCC(F)F)s1.
What is the InChIKey of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-ethylethanamine?
The InChIKey is NDWWJTUJSIJAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2OS/c1-3-14-8(2)9-6-15-11(17-9)4-5-16-7-10(12)13/h6,8,10,14H,3-5,7H2,1-2H3.
What are the key properties of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-ethylethanamine?
1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-ethylethanamine has a molecular weight of 264.34 g/mol, XLogP of 2.64, 8 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-5-yl]-N-ethylethanamine is sourced from PubChem (CID 103150131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).