4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine

C5H5F3N2S — CID 84768657

IUPAC4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine
SMILESNc1scnc1CC(F)(F)F
InChIInChI=1S/C5H5F3N2S/c6-5(7,8)1-3-4(9)11-2-10-3/h2H,1,9H2
InChIKeyNFYDETZFRHBWNI-UHFFFAOYSA-N
MW182.17 g/mol
LogP1.83
Rot. Bonds1

About 4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine

4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine (PubChem CID 84768657) has the molecular formula C5H5F3N2S and a molecular weight of 182.17 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine
PubChem CID84768657
Molecular FormulaC5H5F3N2S
Molecular Weight182.17 g/mol
Exact Mass182.01
IUPAC Name4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine
SMILESNc1scnc1CC(F)(F)F
InChIInChI=1S/C5H5F3N2S/c6-5(7,8)1-3-4(9)11-2-10-3/h2H,1,9H2
InChIKeyNFYDETZFRHBWNI-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine?
The IUPAC name of 4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine (CID 84768657) is 4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine.
What is the SMILES notation for 4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine?
The canonical SMILES for 4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine is Nc1scnc1CC(F)(F)F.
What is the InChIKey of 4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine?
The InChIKey is NFYDETZFRHBWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2S/c6-5(7,8)1-3-4(9)11-2-10-3/h2H,1,9H2.
What are the key properties of 4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine?
4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine has a molecular weight of 182.17 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine is sourced from PubChem (CID 84768657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).