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

C7H11FN2S — CID 84766701

IUPAC1-[2-(fluoromethyl)-1,3-thiazol-5-yl]propan-2-amine
SMILESCC(N)Cc1cnc(CF)s1
InChIInChI=1S/C7H11FN2S/c1-5(9)2-6-4-10-7(3-8)11-6/h4-5H,2-3,9H2,1H3
InChIKeyJMOQETWKDJOFJB-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.50
Rot. Bonds3

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

1-[2-(fluoromethyl)-1,3-thiazol-5-yl]propan-2-amine (PubChem CID 84766701) has the molecular formula C7H11FN2S and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-[2-(fluoromethyl)-1,3-thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(fluoromethyl)-1,3-thiazol-5-yl]propan-2-amine
PubChem CID84766701
Molecular FormulaC7H11FN2S
Molecular Weight174.24 g/mol
Exact Mass174.06
IUPAC Name1-[2-(fluoromethyl)-1,3-thiazol-5-yl]propan-2-amine
SMILESCC(N)Cc1cnc(CF)s1
InChIInChI=1S/C7H11FN2S/c1-5(9)2-6-4-10-7(3-8)11-6/h4-5H,2-3,9H2,1H3
InChIKeyJMOQETWKDJOFJB-UHFFFAOYSA-N
XLogP1.50
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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 1-[2-(fluoromethyl)-1,3-thiazol-5-yl]propan-2-amine?
The IUPAC name of 1-[2-(fluoromethyl)-1,3-thiazol-5-yl]propan-2-amine (CID 84766701) is 1-[2-(fluoromethyl)-1,3-thiazol-5-yl]propan-2-amine.
What is the SMILES notation for 1-[2-(fluoromethyl)-1,3-thiazol-5-yl]propan-2-amine?
The canonical SMILES for 1-[2-(fluoromethyl)-1,3-thiazol-5-yl]propan-2-amine is CC(N)Cc1cnc(CF)s1.
What is the InChIKey of 1-[2-(fluoromethyl)-1,3-thiazol-5-yl]propan-2-amine?
The InChIKey is JMOQETWKDJOFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2S/c1-5(9)2-6-4-10-7(3-8)11-6/h4-5H,2-3,9H2,1H3.
What are the key properties of 1-[2-(fluoromethyl)-1,3-thiazol-5-yl]propan-2-amine?
1-[2-(fluoromethyl)-1,3-thiazol-5-yl]propan-2-amine has a molecular weight of 174.24 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(fluoromethyl)-1,3-thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 84766701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).