2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanamine

C11H11FN2S — CID 22690261

IUPAC2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanamine
SMILESNCCc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C11H11FN2S/c12-9-3-1-8(2-4-9)11-14-10(5-6-13)7-15-11/h1-4,7H,5-6,13H2
InChIKeyVUPHZCXRUWCAMD-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.45
Rot. Bonds3

About 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanamine

2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 22690261) has the molecular formula C11H11FN2S and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanamine
PubChem CID22690261
Molecular FormulaC11H11FN2S
Molecular Weight222.29 g/mol
Exact Mass222.06
IUPAC Name2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanamine
SMILESNCCc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C11H11FN2S/c12-9-3-1-8(2-4-9)11-14-10(5-6-13)7-15-11/h1-4,7H,5-6,13H2
InChIKeyVUPHZCXRUWCAMD-UHFFFAOYSA-N
XLogP2.45
TPSA38.91 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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanamine (CID 22690261) is 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanamine is NCCc1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is VUPHZCXRUWCAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2S/c12-9-3-1-8(2-4-9)11-14-10(5-6-13)7-15-11/h1-4,7H,5-6,13H2.
What are the key properties of 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanamine?
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 222.29 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 22690261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).