[5-fluoro-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine

C5H4F4N2S — CID 130441288

IUPAC[5-fluoro-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(C(F)(F)F)c(F)s1
InChIInChI=1S/C5H4F4N2S/c6-4-3(5(7,8)9)11-2(1-10)12-4/h1,10H2
InChIKeyXXNCCYZJLIKGBM-UHFFFAOYSA-N
MW200.16 g/mol
LogP1.76
Rot. Bonds1

About [5-fluoro-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine

[5-fluoro-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine (PubChem CID 130441288) has the molecular formula C5H4F4N2S and a molecular weight of 200.16 g/mol. Its IUPAC name is [5-fluoro-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-fluoro-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine
PubChem CID130441288
Molecular FormulaC5H4F4N2S
Molecular Weight200.16 g/mol
Exact Mass200.00
IUPAC Name[5-fluoro-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(C(F)(F)F)c(F)s1
InChIInChI=1S/C5H4F4N2S/c6-4-3(5(7,8)9)11-2(1-10)12-4/h1,10H2
InChIKeyXXNCCYZJLIKGBM-UHFFFAOYSA-N
XLogP1.76
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [5-fluoro-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine (CID 130441288) is [5-fluoro-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [5-fluoro-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [5-fluoro-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine is NCc1nc(C(F)(F)F)c(F)s1.
What is the InChIKey of [5-fluoro-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is XXNCCYZJLIKGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F4N2S/c6-4-3(5(7,8)9)11-2(1-10)12-4/h1,10H2.
What are the key properties of [5-fluoro-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine?
[5-fluoro-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 200.16 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 130441288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).