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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Related Compounds

2-fluoro-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]aniline
CID 96824348
4-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64988332
3-chloro-4-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64988284
2-(difluoromethoxy)-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83118159
3-propan-2-yloxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 112568503
2-(ethoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993290
3-methoxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 115923076
8-methoxy-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]quinolin-4-amine
CID 99838885
3-bromo-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 115928704
2-bromo-4-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993154
2-methoxy-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64988281
2-[2-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide
CID 64993085

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).