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

C7H11FN2S — CID 84766703

IUPAC3-[2-(fluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
SMILESNCCCc1cnc(CF)s1
InChIInChI=1S/C7H11FN2S/c8-4-7-10-5-6(11-7)2-1-3-9/h5H,1-4,9H2
InChIKeyCKEIQKXOWISESK-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.50
Rot. Bonds4

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

3-[2-(fluoromethyl)-1,3-thiazol-5-yl]propan-1-amine (PubChem CID 84766703) has the molecular formula C7H11FN2S and a molecular weight of 174.24 g/mol. Its IUPAC name is 3-[2-(fluoromethyl)-1,3-thiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(fluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
PubChem CID84766703
Molecular FormulaC7H11FN2S
Molecular Weight174.24 g/mol
Exact Mass174.06
IUPAC Name3-[2-(fluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
SMILESNCCCc1cnc(CF)s1
InChIInChI=1S/C7H11FN2S/c8-4-7-10-5-6(11-7)2-1-3-9/h5H,1-4,9H2
InChIKeyCKEIQKXOWISESK-UHFFFAOYSA-N
XLogP1.50
TPSA38.91 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 ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(fluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The IUPAC name of 3-[2-(fluoromethyl)-1,3-thiazol-5-yl]propan-1-amine (CID 84766703) is 3-[2-(fluoromethyl)-1,3-thiazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-[2-(fluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The canonical SMILES for 3-[2-(fluoromethyl)-1,3-thiazol-5-yl]propan-1-amine is NCCCc1cnc(CF)s1.
What is the InChIKey of 3-[2-(fluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The InChIKey is CKEIQKXOWISESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2S/c8-4-7-10-5-6(11-7)2-1-3-9/h5H,1-4,9H2.
What are the key properties of 3-[2-(fluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
3-[2-(fluoromethyl)-1,3-thiazol-5-yl]propan-1-amine has a molecular weight of 174.24 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(fluoromethyl)-1,3-thiazol-5-yl]propan-1-amine is sourced from PubChem (CID 84766703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).