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

C11H11FN2S — CID 64544065

IUPAC1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethanamine
SMILESCC(N)c1csc(-c2ccccc2F)n1
InChIInChI=1S/C11H11FN2S/c1-7(13)10-6-15-11(14-10)8-4-2-3-5-9(8)12/h2-7H,13H2,1H3
InChIKeyLOOCUWMTACLEPC-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.97
Rot. Bonds2

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

1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 64544065) has the molecular formula C11H11FN2S and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethanamine
PubChem CID64544065
Molecular FormulaC11H11FN2S
Molecular Weight222.29 g/mol
Exact Mass222.06
IUPAC Name1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethanamine
SMILESCC(N)c1csc(-c2ccccc2F)n1
InChIInChI=1S/C11H11FN2S/c1-7(13)10-6-15-11(14-10)8-4-2-3-5-9(8)12/h2-7H,13H2,1H3
InChIKeyLOOCUWMTACLEPC-UHFFFAOYSA-N
XLogP2.97
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethanamine (CID 64544065) is 1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethanamine is CC(N)c1csc(-c2ccccc2F)n1.
What is the InChIKey of 1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is LOOCUWMTACLEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2S/c1-7(13)10-6-15-11(14-10)8-4-2-3-5-9(8)12/h2-7H,13H2,1H3.
What are the key properties of 1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethanamine?
1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 222.29 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 64544065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).