2-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine

C7H11FN2S — CID 84766700

IUPAC2-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNCCc1cnc(CF)s1
InChIInChI=1S/C7H11FN2S/c1-9-3-2-6-5-10-7(4-8)11-6/h5,9H,2-4H2,1H3
InChIKeyVUOUSEFDQCMQIY-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.37
Rot. Bonds4

About 2-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine

2-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine (PubChem CID 84766700) has the molecular formula C7H11FN2S and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine
PubChem CID84766700
Molecular FormulaC7H11FN2S
Molecular Weight174.24 g/mol
Exact Mass174.06
IUPAC Name2-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNCCc1cnc(CF)s1
InChIInChI=1S/C7H11FN2S/c1-9-3-2-6-5-10-7(4-8)11-6/h5,9H,2-4H2,1H3
InChIKeyVUOUSEFDQCMQIY-UHFFFAOYSA-N
XLogP1.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine?
The IUPAC name of 2-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine (CID 84766700) is 2-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 2-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 2-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine is CNCCc1cnc(CF)s1.
What is the InChIKey of 2-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine?
The InChIKey is VUOUSEFDQCMQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2S/c1-9-3-2-6-5-10-7(4-8)11-6/h5,9H,2-4H2,1H3.
What are the key properties of 2-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine?
2-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine has a molecular weight of 174.24 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 84766700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).