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

C5H5F3N2S — CID 86619051

IUPAC5-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESNc1ncc(CC(F)(F)F)s1
InChIInChI=1S/C5H5F3N2S/c6-5(7,8)1-3-2-10-4(9)11-3/h2H,1H2,(H2,9,10)
InChIKeyPJQGGIUMPBHBPB-UHFFFAOYSA-N
MW182.17 g/mol
LogP1.83
Rot. Bonds1

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

5-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 86619051) has the molecular formula C5H5F3N2S and a molecular weight of 182.17 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID86619051
Molecular FormulaC5H5F3N2S
Molecular Weight182.17 g/mol
Exact Mass182.01
IUPAC Name5-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESNc1ncc(CC(F)(F)F)s1
InChIInChI=1S/C5H5F3N2S/c6-5(7,8)1-3-2-10-4(9)11-3/h2H,1H2,(H2,9,10)
InChIKeyPJQGGIUMPBHBPB-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 5-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 86619051) is 5-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is Nc1ncc(CC(F)(F)F)s1.
What is the InChIKey of 5-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is PJQGGIUMPBHBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2S/c6-5(7,8)1-3-2-10-4(9)11-3/h2H,1H2,(H2,9,10).
What are the key properties of 5-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
5-(2,2,2-trifluoroethyl)-1,3-thiazol-2-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 5-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 86619051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).