2-(2,2-difluoroethoxy)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine

C10H16F2N2OS — CID 103081178

IUPAC2-(2,2-difluoroethoxy)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCCc1nc(CNCCOCC(F)F)cs1
InChIInChI=1S/C10H16F2N2OS/c1-2-10-14-8(7-16-10)5-13-3-4-15-6-9(11)12/h7,9,13H,2-6H2,1H3
InChIKeyKCWXMNXXGBUALZ-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.08
Rot. Bonds8

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

2-(2,2-difluoroethoxy)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine (PubChem CID 103081178) has the molecular formula C10H16F2N2OS and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine
PubChem CID103081178
Molecular FormulaC10H16F2N2OS
Molecular Weight250.31 g/mol
Exact Mass250.10
IUPAC Name2-(2,2-difluoroethoxy)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCCc1nc(CNCCOCC(F)F)cs1
InChIInChI=1S/C10H16F2N2OS/c1-2-10-14-8(7-16-10)5-13-3-4-15-6-9(11)12/h7,9,13H,2-6H2,1H3
InChIKeyKCWXMNXXGBUALZ-UHFFFAOYSA-N
XLogP2.08
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
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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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-(2,2-difluoroethoxy)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine (CID 103081178) is 2-(2,2-difluoroethoxy)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine is CCc1nc(CNCCOCC(F)F)cs1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine?
The InChIKey is KCWXMNXXGBUALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2OS/c1-2-10-14-8(7-16-10)5-13-3-4-15-6-9(11)12/h7,9,13H,2-6H2,1H3.
What are the key properties of 2-(2,2-difluoroethoxy)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine?
2-(2,2-difluoroethoxy)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine has a molecular weight of 250.31 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 103081178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).