4-ethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine

C8H11F3N2S — CID 63226834

IUPAC4-ethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
SMILESCCc1csc(NCCC(F)(F)F)n1
InChIInChI=1S/C8H11F3N2S/c1-2-6-5-14-7(13-6)12-4-3-8(9,10)11/h5H,2-4H2,1H3,(H,12,13)
InChIKeyQBASJRAYQHMMRI-UHFFFAOYSA-N
MW224.25 g/mol
LogP3.07
Rot. Bonds4

About 4-ethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine

4-ethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine (PubChem CID 63226834) has the molecular formula C8H11F3N2S and a molecular weight of 224.25 g/mol. Its IUPAC name is 4-ethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
PubChem CID63226834
Molecular FormulaC8H11F3N2S
Molecular Weight224.25 g/mol
Exact Mass224.06
IUPAC Name4-ethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
SMILESCCc1csc(NCCC(F)(F)F)n1
InChIInChI=1S/C8H11F3N2S/c1-2-6-5-14-7(13-6)12-4-3-8(9,10)11/h5H,2-4H2,1H3,(H,12,13)
InChIKeyQBASJRAYQHMMRI-UHFFFAOYSA-N
XLogP3.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine (CID 63226834) is 4-ethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine is CCc1csc(NCCC(F)(F)F)n1.
What is the InChIKey of 4-ethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine?
The InChIKey is QBASJRAYQHMMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2S/c1-2-6-5-14-7(13-6)12-4-3-8(9,10)11/h5H,2-4H2,1H3,(H,12,13).
What are the key properties of 4-ethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine?
4-ethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine has a molecular weight of 224.25 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 63226834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).