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

C5H5F3N2S — CID 3908018

IUPAC[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C5H5F3N2S/c6-5(7,8)3-2-11-4(1-9)10-3/h2H,1,9H2
InChIKeyPUPALALGCYBWGE-UHFFFAOYSA-N
MW182.17 g/mol
LogP1.62
Rot. Bonds1

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

[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine (PubChem CID 3908018) has the molecular formula C5H5F3N2S and a molecular weight of 182.17 g/mol. Its IUPAC name is [4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine
PubChem CID3908018
Molecular FormulaC5H5F3N2S
Molecular Weight182.17 g/mol
Exact Mass182.01
IUPAC Name[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C5H5F3N2S/c6-5(7,8)3-2-11-4(1-9)10-3/h2H,1,9H2
InChIKeyPUPALALGCYBWGE-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 [4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine (CID 3908018) is [4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine is NCc1nc(C(F)(F)F)cs1.
What is the InChIKey of [4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is PUPALALGCYBWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2S/c6-5(7,8)3-2-11-4(1-9)10-3/h2H,1,9H2.
What are the key properties of [4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine?
[4-(trifluoromethyl)-1,3-thiazol-2-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 [4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 3908018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).