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

C11H11FN2S — CID 115916752

IUPAC4-fluoro-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
SMILESCC(Nc1ccc(F)cc1)c1cscn1
InChIInChI=1S/C11H11FN2S/c1-8(11-6-15-7-13-11)14-10-4-2-9(12)3-5-10/h2-8,14H,1H3
InChIKeyOFNZUWICWASPSI-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.46
Rot. Bonds3

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

4-fluoro-N-[1-(1,3-thiazol-4-yl)ethyl]aniline (PubChem CID 115916752) has the molecular formula C11H11FN2S and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-fluoro-N-[1-(1,3-thiazol-4-yl)ethyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
PubChem CID115916752
Molecular FormulaC11H11FN2S
Molecular Weight222.29 g/mol
Exact Mass222.06
IUPAC Name4-fluoro-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
SMILESCC(Nc1ccc(F)cc1)c1cscn1
InChIInChI=1S/C11H11FN2S/c1-8(11-6-15-7-13-11)14-10-4-2-9(12)3-5-10/h2-8,14H,1H3
InChIKeyOFNZUWICWASPSI-UHFFFAOYSA-N
XLogP3.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-fluoro-5-[1-(1,3-thiazol-4-yl)ethylamino]phenyl]acetamide
CID 115925911
4-fluoro-N-[piperidin-1-yl(1,3-thiazol-4-yl)methyl]aniline
CID 90786081
N-methyl-1-(1,3-thiazol-4-yl)ethanamine
CID 46784246
3-ethyl-4-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
CID 114250121
N-[1-(1,3-thiazol-4-yl)ethyl]quinolin-6-amine
CID 115928696
N-[1-(1,3-thiazol-4-yl)ethyl]propan-2-amine
CID 46784250
5-bromo-2,4-difluoro-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
CID 102852908
3-[1-(1,3-thiazol-4-yl)ethylamino]benzamide
CID 115928538
3-nitro-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
CID 113486862
N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117498
4-fluoro-N-propan-2-yl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-amine
CID 169440641
2-[1-(1,3-thiazol-4-yl)ethylamino]benzoic acid
CID 113486843

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(1,3-thiazol-4-yl)ethyl]aniline?
The IUPAC name of 4-fluoro-N-[1-(1,3-thiazol-4-yl)ethyl]aniline (CID 115916752) is 4-fluoro-N-[1-(1,3-thiazol-4-yl)ethyl]aniline.
What is the SMILES notation for 4-fluoro-N-[1-(1,3-thiazol-4-yl)ethyl]aniline?
The canonical SMILES for 4-fluoro-N-[1-(1,3-thiazol-4-yl)ethyl]aniline is CC(Nc1ccc(F)cc1)c1cscn1.
What is the InChIKey of 4-fluoro-N-[1-(1,3-thiazol-4-yl)ethyl]aniline?
The InChIKey is OFNZUWICWASPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2S/c1-8(11-6-15-7-13-11)14-10-4-2-9(12)3-5-10/h2-8,14H,1H3.
What are the key properties of 4-fluoro-N-[1-(1,3-thiazol-4-yl)ethyl]aniline?
4-fluoro-N-[1-(1,3-thiazol-4-yl)ethyl]aniline has a molecular weight of 222.29 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(1,3-thiazol-4-yl)ethyl]aniline is sourced from PubChem (CID 115916752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).