2-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline

C12H12F2N2OS — CID 64988333

IUPAC2-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
SMILESCC(Nc1ccccc1OC(F)F)c1nccs1
InChIInChI=1S/C12H12F2N2OS/c1-8(11-15-6-7-18-11)16-9-4-2-3-5-10(9)17-12(13)14/h2-8,12,16H,1H3
InChIKeyPLIQXAOMXSDDRO-UHFFFAOYSA-N
MW270.30 g/mol
LogP3.92
Rot. Bonds5

About 2-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline

2-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline (PubChem CID 64988333) has the molecular formula C12H12F2N2OS and a molecular weight of 270.30 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
PubChem CID64988333
Molecular FormulaC12H12F2N2OS
Molecular Weight270.30 g/mol
Exact Mass270.06
IUPAC Name2-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
SMILESCC(Nc1ccccc1OC(F)F)c1nccs1
InChIInChI=1S/C12H12F2N2OS/c1-8(11-15-6-7-18-11)16-9-4-2-3-5-10(9)17-12(13)14/h2-8,12,16H,1H3
InChIKeyPLIQXAOMXSDDRO-UHFFFAOYSA-N
XLogP3.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
The IUPAC name of 2-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline (CID 64988333) is 2-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline.
What is the SMILES notation for 2-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
The canonical SMILES for 2-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline is CC(Nc1ccccc1OC(F)F)c1nccs1.
What is the InChIKey of 2-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
The InChIKey is PLIQXAOMXSDDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2OS/c1-8(11-15-6-7-18-11)16-9-4-2-3-5-10(9)17-12(13)14/h2-8,12,16H,1H3.
What are the key properties of 2-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
2-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline has a molecular weight of 270.30 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline is sourced from PubChem (CID 64988333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).