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

C11H18F2N2OS — CID 103151323

IUPAC3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]butan-2-amine
SMILESCC(N)C(C)c1csc(CCOCC(F)F)n1
InChIInChI=1S/C11H18F2N2OS/c1-7(8(2)14)9-6-17-11(15-9)3-4-16-5-10(12)13/h6-8,10H,3-5,14H2,1-2H3
InChIKeyCNSTVEHGYXPKJA-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.42
Rot. Bonds7

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

3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]butan-2-amine (PubChem CID 103151323) has the molecular formula C11H18F2N2OS and a molecular weight of 264.34 g/mol. Its IUPAC name is 3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]butan-2-amine.

Molecular Properties

Compound Name3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]butan-2-amine
PubChem CID103151323
Molecular FormulaC11H18F2N2OS
Molecular Weight264.34 g/mol
Exact Mass264.11
IUPAC Name3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]butan-2-amine
SMILESCC(N)C(C)c1csc(CCOCC(F)F)n1
InChIInChI=1S/C11H18F2N2OS/c1-7(8(2)14)9-6-17-11(15-9)3-4-16-5-10(12)13/h6-8,10H,3-5,14H2,1-2H3
InChIKeyCNSTVEHGYXPKJA-UHFFFAOYSA-N
XLogP2.42
TPSA48.14 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 3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]butan-2-amine?
The IUPAC name of 3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]butan-2-amine (CID 103151323) is 3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]butan-2-amine.
What is the SMILES notation for 3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]butan-2-amine?
The canonical SMILES for 3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]butan-2-amine is CC(N)C(C)c1csc(CCOCC(F)F)n1.
What is the InChIKey of 3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]butan-2-amine?
The InChIKey is CNSTVEHGYXPKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2OS/c1-7(8(2)14)9-6-17-11(15-9)3-4-16-5-10(12)13/h6-8,10H,3-5,14H2,1-2H3.
What are the key properties of 3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]butan-2-amine?
3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]butan-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 3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]butan-2-amine is sourced from PubChem (CID 103151323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).