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

C11H16F2N2O2S — CID 103151364

IUPAC3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]morpholine
SMILESFC(F)COCCc1nc(C2COCCN2)cs1
InChIInChI=1S/C11H16F2N2O2S/c12-10(13)6-16-3-1-11-15-9(7-18-11)8-5-17-4-2-14-8/h7-8,10,14H,1-6H2
InChIKeyRIXBCDFRXKFQTL-UHFFFAOYSA-N
MW278.32 g/mol
LogP1.63
Rot. Bonds6

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

3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]morpholine (PubChem CID 103151364) has the molecular formula C11H16F2N2O2S and a molecular weight of 278.32 g/mol. Its IUPAC name is 3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]morpholine.

Molecular Properties

Compound Name3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]morpholine
PubChem CID103151364
Molecular FormulaC11H16F2N2O2S
Molecular Weight278.32 g/mol
Exact Mass278.09
IUPAC Name3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]morpholine
SMILESFC(F)COCCc1nc(C2COCCN2)cs1
InChIInChI=1S/C11H16F2N2O2S/c12-10(13)6-16-3-1-11-15-9(7-18-11)8-5-17-4-2-14-8/h7-8,10,14H,1-6H2
InChIKeyRIXBCDFRXKFQTL-UHFFFAOYSA-N
XLogP1.63
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]morpholine?
The IUPAC name of 3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]morpholine (CID 103151364) is 3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]morpholine.
What is the SMILES notation for 3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]morpholine?
The canonical SMILES for 3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]morpholine is FC(F)COCCc1nc(C2COCCN2)cs1.
What is the InChIKey of 3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]morpholine?
The InChIKey is RIXBCDFRXKFQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O2S/c12-10(13)6-16-3-1-11-15-9(7-18-11)8-5-17-4-2-14-8/h7-8,10,14H,1-6H2.
What are the key properties of 3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]morpholine?
3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]morpholine has a molecular weight of 278.32 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]morpholine is sourced from PubChem (CID 103151364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).