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

C8H13FN2S — CID 84770826

IUPAC3-[5-(fluoromethyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine
SMILESCNCCCc1ncc(CF)s1
InChIInChI=1S/C8H13FN2S/c1-10-4-2-3-8-11-6-7(5-9)12-8/h6,10H,2-5H2,1H3
InChIKeyPEQRAQYBKHZKET-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.76
Rot. Bonds5

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

3-[5-(fluoromethyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine (PubChem CID 84770826) has the molecular formula C8H13FN2S and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-[5-(fluoromethyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(fluoromethyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine
PubChem CID84770826
Molecular FormulaC8H13FN2S
Molecular Weight188.27 g/mol
Exact Mass188.08
IUPAC Name3-[5-(fluoromethyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine
SMILESCNCCCc1ncc(CF)s1
InChIInChI=1S/C8H13FN2S/c1-10-4-2-3-8-11-6-7(5-9)12-8/h6,10H,2-5H2,1H3
InChIKeyPEQRAQYBKHZKET-UHFFFAOYSA-N
XLogP1.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(fluoromethyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[5-(fluoromethyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine (CID 84770826) is 3-[5-(fluoromethyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[5-(fluoromethyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[5-(fluoromethyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine is CNCCCc1ncc(CF)s1.
What is the InChIKey of 3-[5-(fluoromethyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine?
The InChIKey is PEQRAQYBKHZKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2S/c1-10-4-2-3-8-11-6-7(5-9)12-8/h6,10H,2-5H2,1H3.
What are the key properties of 3-[5-(fluoromethyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine?
3-[5-(fluoromethyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine has a molecular weight of 188.27 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(fluoromethyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 84770826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).