2,6-dichloro-4-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]aniline

C11H9Cl2FN2S — CID 83076313

IUPAC2,6-dichloro-4-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
SMILESCC(Nc1c(Cl)cc(F)cc1Cl)c1nccs1
InChIInChI=1S/C11H9Cl2FN2S/c1-6(11-15-2-3-17-11)16-10-8(12)4-7(14)5-9(10)13/h2-6,16H,1H3
InChIKeyWNLPOLWNGCXSQF-UHFFFAOYSA-N
MW291.18 g/mol
LogP4.76
Rot. Bonds3

About 2,6-dichloro-4-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]aniline

2,6-dichloro-4-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]aniline (PubChem CID 83076313) has the molecular formula C11H9Cl2FN2S and a molecular weight of 291.18 g/mol. Its IUPAC name is 2,6-dichloro-4-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-4-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
PubChem CID83076313
Molecular FormulaC11H9Cl2FN2S
Molecular Weight291.18 g/mol
Exact Mass289.98
IUPAC Name2,6-dichloro-4-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
SMILESCC(Nc1c(Cl)cc(F)cc1Cl)c1nccs1
InChIInChI=1S/C11H9Cl2FN2S/c1-6(11-15-2-3-17-11)16-10-8(12)4-7(14)5-9(10)13/h2-6,16H,1H3
InChIKeyWNLPOLWNGCXSQF-UHFFFAOYSA-N
XLogP4.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-5-fluoro-1-N-[1-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine
CID 66076691
2,6-dichloro-4-fluoro-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 83077042
2,6-dichloro-4-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 83076710
N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine
CID 63612751
2-chloro-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-4-amine
CID 97357874
2-bromo-4-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993154
2-chloro-4-iodo-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993233
5-bromo-4-fluoro-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 103271867
3-chloro-4-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64988284
2-fluoro-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]aniline
CID 96824348
6-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-benzodioxol-5-amine
CID 64993019
2-chloro-4-[1-(1,3-thiazol-2-yl)ethylamino]benzonitrile
CID 63938853

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
The IUPAC name of 2,6-dichloro-4-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]aniline (CID 83076313) is 2,6-dichloro-4-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]aniline.
What is the SMILES notation for 2,6-dichloro-4-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
The canonical SMILES for 2,6-dichloro-4-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]aniline is CC(Nc1c(Cl)cc(F)cc1Cl)c1nccs1.
What is the InChIKey of 2,6-dichloro-4-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
The InChIKey is WNLPOLWNGCXSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2FN2S/c1-6(11-15-2-3-17-11)16-10-8(12)4-7(14)5-9(10)13/h2-6,16H,1H3.
What are the key properties of 2,6-dichloro-4-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
2,6-dichloro-4-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]aniline has a molecular weight of 291.18 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]aniline is sourced from PubChem (CID 83076313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).