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

C11H16F2N2O2S — CID 103151348

IUPAC3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxolan-3-amine
SMILESNC1(c2csc(CCOCC(F)F)n2)CCOC1
InChIInChI=1S/C11H16F2N2O2S/c12-9(13)5-16-3-1-10-15-8(6-18-10)11(14)2-4-17-7-11/h6,9H,1-5,7,14H2
InChIKeyWSLQCPZUURQMOS-UHFFFAOYSA-N
MW278.32 g/mol
LogP1.54
Rot. Bonds6

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

3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxolan-3-amine (PubChem CID 103151348) 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]oxolan-3-amine.

Molecular Properties

Compound Name3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxolan-3-amine
PubChem CID103151348
Molecular FormulaC11H16F2N2O2S
Molecular Weight278.32 g/mol
Exact Mass278.09
IUPAC Name3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxolan-3-amine
SMILESNC1(c2csc(CCOCC(F)F)n2)CCOC1
InChIInChI=1S/C11H16F2N2O2S/c12-9(13)5-16-3-1-10-15-8(6-18-10)11(14)2-4-17-7-11/h6,9H,1-5,7,14H2
InChIKeyWSLQCPZUURQMOS-UHFFFAOYSA-N
XLogP1.54
TPSA57.37 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 ≤ 51.54
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]oxolan-3-amine?
The IUPAC name of 3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxolan-3-amine (CID 103151348) is 3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxolan-3-amine.
What is the SMILES notation for 3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxolan-3-amine?
The canonical SMILES for 3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxolan-3-amine is NC1(c2csc(CCOCC(F)F)n2)CCOC1.
What is the InChIKey of 3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxolan-3-amine?
The InChIKey is WSLQCPZUURQMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O2S/c12-9(13)5-16-3-1-10-15-8(6-18-10)11(14)2-4-17-7-11/h6,9H,1-5,7,14H2.
What are the key properties of 3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxolan-3-amine?
3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxolan-3-amine has a molecular weight of 278.32 g/mol, XLogP of 1.54, 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]oxolan-3-amine is sourced from PubChem (CID 103151348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).