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

C5H5F3N2S — CID 82372961

IUPAC[3-(trifluoromethyl)-1,2-thiazol-5-yl]methanamine
SMILESNCc1cc(C(F)(F)F)ns1
InChIInChI=1S/C5H5F3N2S/c6-5(7,8)4-1-3(2-9)11-10-4/h1H,2,9H2
InChIKeyRJVVRVPYBZVAKD-UHFFFAOYSA-N
MW182.17 g/mol
LogP1.62
Rot. Bonds1

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

[3-(trifluoromethyl)-1,2-thiazol-5-yl]methanamine (PubChem CID 82372961) has the molecular formula C5H5F3N2S and a molecular weight of 182.17 g/mol. Its IUPAC name is [3-(trifluoromethyl)-1,2-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(trifluoromethyl)-1,2-thiazol-5-yl]methanamine
PubChem CID82372961
Molecular FormulaC5H5F3N2S
Molecular Weight182.17 g/mol
Exact Mass182.01
IUPAC Name[3-(trifluoromethyl)-1,2-thiazol-5-yl]methanamine
SMILESNCc1cc(C(F)(F)F)ns1
InChIInChI=1S/C5H5F3N2S/c6-5(7,8)4-1-3(2-9)11-10-4/h1H,2,9H2
InChIKeyRJVVRVPYBZVAKD-UHFFFAOYSA-N
XLogP1.62
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)-1,2-thiazol-5-yl]methanamine?
The IUPAC name of [3-(trifluoromethyl)-1,2-thiazol-5-yl]methanamine (CID 82372961) is [3-(trifluoromethyl)-1,2-thiazol-5-yl]methanamine.
What is the SMILES notation for [3-(trifluoromethyl)-1,2-thiazol-5-yl]methanamine?
The canonical SMILES for [3-(trifluoromethyl)-1,2-thiazol-5-yl]methanamine is NCc1cc(C(F)(F)F)ns1.
What is the InChIKey of [3-(trifluoromethyl)-1,2-thiazol-5-yl]methanamine?
The InChIKey is RJVVRVPYBZVAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2S/c6-5(7,8)4-1-3(2-9)11-10-4/h1H,2,9H2.
What are the key properties of [3-(trifluoromethyl)-1,2-thiazol-5-yl]methanamine?
[3-(trifluoromethyl)-1,2-thiazol-5-yl]methanamine has a molecular weight of 182.17 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)-1,2-thiazol-5-yl]methanamine is sourced from PubChem (CID 82372961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).