2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine

C8H13FN2S — CID 84770812

IUPAC2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine
SMILESCNCCc1nc(C)c(CF)s1
InChIInChI=1S/C8H13FN2S/c1-6-7(5-9)12-8(11-6)3-4-10-2/h10H,3-5H2,1-2H3
InChIKeyGLFGNRQHEIAIFN-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.68
Rot. Bonds4

About 2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine

2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine (PubChem CID 84770812) has the molecular formula C8H13FN2S and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine
PubChem CID84770812
Molecular FormulaC8H13FN2S
Molecular Weight188.27 g/mol
Exact Mass188.08
IUPAC Name2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine
SMILESCNCCc1nc(C)c(CF)s1
InChIInChI=1S/C8H13FN2S/c1-6-7(5-9)12-8(11-6)3-4-10-2/h10H,3-5H2,1-2H3
InChIKeyGLFGNRQHEIAIFN-UHFFFAOYSA-N
XLogP1.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine?
The IUPAC name of 2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine (CID 84770812) is 2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine is CNCCc1nc(C)c(CF)s1.
What is the InChIKey of 2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine?
The InChIKey is GLFGNRQHEIAIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2S/c1-6-7(5-9)12-8(11-6)3-4-10-2/h10H,3-5H2,1-2H3.
What are the key properties of 2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine?
2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine has a molecular weight of 188.27 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 84770812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).