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

C11H18F2N2OS — CID 103151353

IUPAC2-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1csc(CCOCC(F)F)n1
InChIInChI=1S/C11H18F2N2OS/c1-11(2,14-3)8-7-17-10(15-8)4-5-16-6-9(12)13/h7,9,14H,4-6H2,1-3H3
InChIKeyPQGWPPKEUCYOEV-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.42
Rot. Bonds7

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

2-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-methylpropan-2-amine (PubChem CID 103151353) has the molecular formula C11H18F2N2OS and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-methylpropan-2-amine
PubChem CID103151353
Molecular FormulaC11H18F2N2OS
Molecular Weight264.34 g/mol
Exact Mass264.11
IUPAC Name2-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1csc(CCOCC(F)F)n1
InChIInChI=1S/C11H18F2N2OS/c1-11(2,14-3)8-7-17-10(15-8)4-5-16-6-9(12)13/h7,9,14H,4-6H2,1-3H3
InChIKeyPQGWPPKEUCYOEV-UHFFFAOYSA-N
XLogP2.42
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.42
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 2-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-methylpropan-2-amine?
The IUPAC name of 2-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-methylpropan-2-amine (CID 103151353) is 2-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 2-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-methylpropan-2-amine?
The canonical SMILES for 2-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-methylpropan-2-amine is CNC(C)(C)c1csc(CCOCC(F)F)n1.
What is the InChIKey of 2-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-methylpropan-2-amine?
The InChIKey is PQGWPPKEUCYOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2OS/c1-11(2,14-3)8-7-17-10(15-8)4-5-16-6-9(12)13/h7,9,14H,4-6H2,1-3H3.
What are the key properties of 2-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-methylpropan-2-amine?
2-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-methylpropan-2-amine has a molecular weight of 264.34 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 103151353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).