[4-(fluoromethyl)-1,3-thiazol-2-yl]methanamine

C5H7FN2S — CID 84762941

IUPAC[4-(fluoromethyl)-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(CF)cs1
InChIInChI=1S/C5H7FN2S/c6-1-4-3-9-5(2-7)8-4/h3H,1-2,7H2
InChIKeyZPLWMNFCIHUCOY-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.07
Rot. Bonds2

About [4-(fluoromethyl)-1,3-thiazol-2-yl]methanamine

[4-(fluoromethyl)-1,3-thiazol-2-yl]methanamine (PubChem CID 84762941) has the molecular formula C5H7FN2S and a molecular weight of 146.19 g/mol. Its IUPAC name is [4-(fluoromethyl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(fluoromethyl)-1,3-thiazol-2-yl]methanamine
PubChem CID84762941
Molecular FormulaC5H7FN2S
Molecular Weight146.19 g/mol
Exact Mass146.03
IUPAC Name[4-(fluoromethyl)-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(CF)cs1
InChIInChI=1S/C5H7FN2S/c6-1-4-3-9-5(2-7)8-4/h3H,1-2,7H2
InChIKeyZPLWMNFCIHUCOY-UHFFFAOYSA-N
XLogP1.07
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(fluoromethyl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-(fluoromethyl)-1,3-thiazol-2-yl]methanamine (CID 84762941) is [4-(fluoromethyl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-(fluoromethyl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-(fluoromethyl)-1,3-thiazol-2-yl]methanamine is NCc1nc(CF)cs1.
What is the InChIKey of [4-(fluoromethyl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is ZPLWMNFCIHUCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2S/c6-1-4-3-9-5(2-7)8-4/h3H,1-2,7H2.
What are the key properties of [4-(fluoromethyl)-1,3-thiazol-2-yl]methanamine?
[4-(fluoromethyl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 146.19 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(fluoromethyl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 84762941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).