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

C11H10BrFN2S — CID 64993154

IUPAC2-bromo-4-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
SMILESCC(Nc1ccc(F)cc1Br)c1nccs1
InChIInChI=1S/C11H10BrFN2S/c1-7(11-14-4-5-16-11)15-10-3-2-8(13)6-9(10)12/h2-7,15H,1H3
InChIKeyNSYIOMUPIHMKBR-UHFFFAOYSA-N
MW301.18 g/mol
LogP4.22
Rot. Bonds3

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

2-bromo-4-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]aniline (PubChem CID 64993154) has the molecular formula C11H10BrFN2S and a molecular weight of 301.18 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
PubChem CID64993154
Molecular FormulaC11H10BrFN2S
Molecular Weight301.18 g/mol
Exact Mass299.97
IUPAC Name2-bromo-4-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
SMILESCC(Nc1ccc(F)cc1Br)c1nccs1
InChIInChI=1S/C11H10BrFN2S/c1-7(11-14-4-5-16-11)15-10-3-2-8(13)6-9(10)12/h2-7,15H,1H3
InChIKeyNSYIOMUPIHMKBR-UHFFFAOYSA-N
XLogP4.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
The IUPAC name of 2-bromo-4-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]aniline (CID 64993154) is 2-bromo-4-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]aniline.
What is the SMILES notation for 2-bromo-4-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
The canonical SMILES for 2-bromo-4-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]aniline is CC(Nc1ccc(F)cc1Br)c1nccs1.
What is the InChIKey of 2-bromo-4-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
The InChIKey is NSYIOMUPIHMKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2S/c1-7(11-14-4-5-16-11)15-10-3-2-8(13)6-9(10)12/h2-7,15H,1H3.
What are the key properties of 2-bromo-4-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
2-bromo-4-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]aniline has a molecular weight of 301.18 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]aniline is sourced from PubChem (CID 64993154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).