(2-fluoro-1,3-thiazol-5-yl)methanamine

C4H5FN2S — CID 66973581

IUPAC(2-fluoro-1,3-thiazol-5-yl)methanamine
SMILESNCc1cnc(F)s1
InChIInChI=1S/C4H5FN2S/c5-4-7-2-3(1-6)8-4/h2H,1,6H2
InChIKeyUUABTUFDQKZAGS-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.74
Rot. Bonds1

About (2-fluoro-1,3-thiazol-5-yl)methanamine

(2-fluoro-1,3-thiazol-5-yl)methanamine (PubChem CID 66973581) has the molecular formula C4H5FN2S and a molecular weight of 132.16 g/mol. Its IUPAC name is (2-fluoro-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-fluoro-1,3-thiazol-5-yl)methanamine
PubChem CID66973581
Molecular FormulaC4H5FN2S
Molecular Weight132.16 g/mol
Exact Mass132.02
IUPAC Name(2-fluoro-1,3-thiazol-5-yl)methanamine
SMILESNCc1cnc(F)s1
InChIInChI=1S/C4H5FN2S/c5-4-7-2-3(1-6)8-4/h2H,1,6H2
InChIKeyUUABTUFDQKZAGS-UHFFFAOYSA-N
XLogP0.74
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-1,3-thiazol-5-yl)methanamine?
The IUPAC name of (2-fluoro-1,3-thiazol-5-yl)methanamine (CID 66973581) is (2-fluoro-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for (2-fluoro-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for (2-fluoro-1,3-thiazol-5-yl)methanamine is NCc1cnc(F)s1.
What is the InChIKey of (2-fluoro-1,3-thiazol-5-yl)methanamine?
The InChIKey is UUABTUFDQKZAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2S/c5-4-7-2-3(1-6)8-4/h2H,1,6H2.
What are the key properties of (2-fluoro-1,3-thiazol-5-yl)methanamine?
(2-fluoro-1,3-thiazol-5-yl)methanamine has a molecular weight of 132.16 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 66973581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).