[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine

C8H12F2N2OS — CID 103150105

IUPAC[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(CCOCC(F)F)s1
InChIInChI=1S/C8H12F2N2OS/c9-7(10)5-13-2-1-8-12-4-6(3-11)14-8/h4,7H,1-3,5,11H2
InChIKeyIEJBARIXXMCJRC-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.43
Rot. Bonds6

About [2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine

[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine (PubChem CID 103150105) has the molecular formula C8H12F2N2OS and a molecular weight of 222.26 g/mol. Its IUPAC name is [2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine
PubChem CID103150105
Molecular FormulaC8H12F2N2OS
Molecular Weight222.26 g/mol
Exact Mass222.06
IUPAC Name[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(CCOCC(F)F)s1
InChIInChI=1S/C8H12F2N2OS/c9-7(10)5-13-2-1-8-12-4-6(3-11)14-8/h4,7H,1-3,5,11H2
InChIKeyIEJBARIXXMCJRC-UHFFFAOYSA-N
XLogP1.43
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.43
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-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine (CID 103150105) is [2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine is NCc1cnc(CCOCC(F)F)s1.
What is the InChIKey of [2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine?
The InChIKey is IEJBARIXXMCJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2OS/c9-7(10)5-13-2-1-8-12-4-6(3-11)14-8/h4,7H,1-3,5,11H2.
What are the key properties of [2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine?
[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine has a molecular weight of 222.26 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 103150105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).