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

C11H11FN2S — CID 10524049

IUPAC2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethanamine
SMILESNCCc1csc(-c2cccc(F)c2)n1
InChIInChI=1S/C11H11FN2S/c12-9-3-1-2-8(6-9)11-14-10(4-5-13)7-15-11/h1-3,6-7H,4-5,13H2
InChIKeyILNQINZXWJMSHB-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.45
Rot. Bonds3

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

2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 10524049) has the molecular formula C11H11FN2S and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethanamine
PubChem CID10524049
Molecular FormulaC11H11FN2S
Molecular Weight222.29 g/mol
Exact Mass222.06
IUPAC Name2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethanamine
SMILESNCCc1csc(-c2cccc(F)c2)n1
InChIInChI=1S/C11H11FN2S/c12-9-3-1-2-8(6-9)11-14-10(4-5-13)7-15-11/h1-3,6-7H,4-5,13H2
InChIKeyILNQINZXWJMSHB-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-(3-fluorophenyl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethanamine (CID 10524049) is 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethanamine is NCCc1csc(-c2cccc(F)c2)n1.
What is the InChIKey of 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is ILNQINZXWJMSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2S/c12-9-3-1-2-8(6-9)11-14-10(4-5-13)7-15-11/h1-3,6-7H,4-5,13H2.
What are the key properties of 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethanamine?
2-[2-(3-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-(3-fluorophenyl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 10524049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).