(1R)-2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethanamine

C5H5F3N2S — CID 92669809

IUPAC(1R)-2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethanamine
SMILESN[C@@H](c1nccs1)C(F)(F)F
InChIInChI=1S/C5H5F3N2S/c6-5(7,8)3(9)4-10-1-2-11-4/h1-3H,9H2/t3-/m0/s1
InChIKeyMAIHPBYKEIKBAU-VKHMYHEASA-N
MW182.17 g/mol
LogP1.71
Rot. Bonds1

About (1R)-2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethanamine

(1R)-2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethanamine (PubChem CID 92669809) has the molecular formula C5H5F3N2S and a molecular weight of 182.17 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethanamine
PubChem CID92669809
Molecular FormulaC5H5F3N2S
Molecular Weight182.17 g/mol
Exact Mass182.01
IUPAC Name(1R)-2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethanamine
SMILESN[C@@H](c1nccs1)C(F)(F)F
InChIInChI=1S/C5H5F3N2S/c6-5(7,8)3(9)4-10-1-2-11-4/h1-3H,9H2/t3-/m0/s1
InChIKeyMAIHPBYKEIKBAU-VKHMYHEASA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(1,1,1-trifluoropropan-2-ylsulfanyl)-1,3-thiazole
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Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of (1R)-2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethanamine (CID 92669809) is (1R)-2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethanamine is N[C@@H](c1nccs1)C(F)(F)F.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is MAIHPBYKEIKBAU-VKHMYHEASA-N. The full InChI is InChI=1S/C5H5F3N2S/c6-5(7,8)3(9)4-10-1-2-11-4/h1-3H,9H2/t3-/m0/s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethanamine?
(1R)-2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 182.17 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 92669809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).