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

C9H14F2N2OS — CID 103082659

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-1-(1,3-thiazol-5-yl)ethanamine
SMILESCC(NCCOCC(F)F)c1cncs1
InChIInChI=1S/C9H14F2N2OS/c1-7(8-4-12-6-15-8)13-2-3-14-5-9(10)11/h4,6-7,9,13H,2-3,5H2,1H3
InChIKeyHWEMOBSNWHBXST-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.08
Rot. Bonds7

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

N-[2-(2,2-difluoroethoxy)ethyl]-1-(1,3-thiazol-5-yl)ethanamine (PubChem CID 103082659) has the molecular formula C9H14F2N2OS and a molecular weight of 236.29 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-1-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-1-(1,3-thiazol-5-yl)ethanamine
PubChem CID103082659
Molecular FormulaC9H14F2N2OS
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-1-(1,3-thiazol-5-yl)ethanamine
SMILESCC(NCCOCC(F)F)c1cncs1
InChIInChI=1S/C9H14F2N2OS/c1-7(8-4-12-6-15-8)13-2-3-14-5-9(10)11/h4,6-7,9,13H,2-3,5H2,1H3
InChIKeyHWEMOBSNWHBXST-UHFFFAOYSA-N
XLogP2.08
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.08
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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Related Compounds

1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]ethan-1-amine hydrochloride
CID 122163992
2-methoxy-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]acetamide
CID 164637602
1-[2-(2,2,2-Trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine
CID 58629032
(1R)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine;hydrochloride
CID 135377679
(1R)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine
CID 135377680
1-[2-(2,2,2-Trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine;hydrochloride
CID 135377683
(1S)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine
CID 135377924
2-methyl-N-[(1S)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide
CID 135378154
(R)-2-methyl-N-[(1S)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide
CID 135378157
2-methyl-N-[(1R)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide
CID 135378247
(R)-2-methyl-N-[(1R)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide
CID 135378249
2-(2,2-Difluoroethylamino)-2-(1,3-thiazol-5-yl)ethanol
CID 169181655

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-1-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-1-(1,3-thiazol-5-yl)ethanamine (CID 103082659) is N-[2-(2,2-difluoroethoxy)ethyl]-1-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-1-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-1-(1,3-thiazol-5-yl)ethanamine is CC(NCCOCC(F)F)c1cncs1.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-1-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is HWEMOBSNWHBXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2OS/c1-7(8-4-12-6-15-8)13-2-3-14-5-9(10)11/h4,6-7,9,13H,2-3,5H2,1H3.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-1-(1,3-thiazol-5-yl)ethanamine?
N-[2-(2,2-difluoroethoxy)ethyl]-1-(1,3-thiazol-5-yl)ethanamine has a molecular weight of 236.29 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-1-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 103082659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).