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

C11H16F2N2OS — CID 103151350

IUPAC1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclobutan-1-amine
SMILESNC1(c2csc(CCOCC(F)F)n2)CCC1
InChIInChI=1S/C11H16F2N2OS/c12-9(13)6-16-5-2-10-15-8(7-17-10)11(14)3-1-4-11/h7,9H,1-6,14H2
InChIKeySSUSWVCKQIIQRH-UHFFFAOYSA-N
MW262.32 g/mol
LogP2.31
Rot. Bonds6

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

1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclobutan-1-amine (PubChem CID 103151350) has the molecular formula C11H16F2N2OS and a molecular weight of 262.32 g/mol. Its IUPAC name is 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclobutan-1-amine
PubChem CID103151350
Molecular FormulaC11H16F2N2OS
Molecular Weight262.32 g/mol
Exact Mass262.10
IUPAC Name1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclobutan-1-amine
SMILESNC1(c2csc(CCOCC(F)F)n2)CCC1
InChIInChI=1S/C11H16F2N2OS/c12-9(13)6-16-5-2-10-15-8(7-17-10)11(14)3-1-4-11/h7,9H,1-6,14H2
InChIKeySSUSWVCKQIIQRH-UHFFFAOYSA-N
XLogP2.31
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 52.31
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-4-yl]cyclobutan-1-amine?
The IUPAC name of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclobutan-1-amine (CID 103151350) is 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclobutan-1-amine is NC1(c2csc(CCOCC(F)F)n2)CCC1.
What is the InChIKey of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclobutan-1-amine?
The InChIKey is SSUSWVCKQIIQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2OS/c12-9(13)6-16-5-2-10-15-8(7-17-10)11(14)3-1-4-11/h7,9H,1-6,14H2.
What are the key properties of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclobutan-1-amine?
1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclobutan-1-amine has a molecular weight of 262.32 g/mol, XLogP of 2.31, 6 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-4-yl]cyclobutan-1-amine is sourced from PubChem (CID 103151350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).