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

C5H5F3N2OS — CID 102769230

IUPAC2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-amine
SMILESNc1cnc(OCC(F)(F)F)s1
InChIInChI=1S/C5H5F3N2OS/c6-5(7,8)2-11-4-10-1-3(9)12-4/h1H,2,9H2
InChIKeyHPEMPHUDNYGVFT-UHFFFAOYSA-N
MW198.17 g/mol
LogP1.67
Rot. Bonds2

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

2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-amine (PubChem CID 102769230) has the molecular formula C5H5F3N2OS and a molecular weight of 198.17 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-amine
PubChem CID102769230
Molecular FormulaC5H5F3N2OS
Molecular Weight198.17 g/mol
Exact Mass198.01
IUPAC Name2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-amine
SMILESNc1cnc(OCC(F)(F)F)s1
InChIInChI=1S/C5H5F3N2OS/c6-5(7,8)2-11-4-10-1-3(9)12-4/h1H,2,9H2
InChIKeyHPEMPHUDNYGVFT-UHFFFAOYSA-N
XLogP1.67
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-amine?
The IUPAC name of 2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-amine (CID 102769230) is 2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-amine?
The canonical SMILES for 2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-amine is Nc1cnc(OCC(F)(F)F)s1.
What is the InChIKey of 2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-amine?
The InChIKey is HPEMPHUDNYGVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2OS/c6-5(7,8)2-11-4-10-1-3(9)12-4/h1H,2,9H2.
What are the key properties of 2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-amine?
2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-amine has a molecular weight of 198.17 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-amine is sourced from PubChem (CID 102769230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).