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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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).