4-[[2-(trifluoromethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one

C7H9F3N2O2S — CID 106381127

IUPAC4-[[2-(trifluoromethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCCOC(F)(F)F)cs1
InChIInChI=1S/C7H9F3N2O2S/c8-7(9,10)14-2-1-11-3-5-4-15-6(13)12-5/h4,11H,1-3H2,(H,12,13)
InChIKeyMHVWQXYFJQLTRC-UHFFFAOYSA-N
MW242.22 g/mol
LogP1.06
Rot. Bonds5

About 4-[[2-(trifluoromethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one

4-[[2-(trifluoromethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381127) has the molecular formula C7H9F3N2O2S and a molecular weight of 242.22 g/mol. Its IUPAC name is 4-[[2-(trifluoromethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[2-(trifluoromethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106381127
Molecular FormulaC7H9F3N2O2S
Molecular Weight242.22 g/mol
Exact Mass242.03
IUPAC Name4-[[2-(trifluoromethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCCOC(F)(F)F)cs1
InChIInChI=1S/C7H9F3N2O2S/c8-7(9,10)14-2-1-11-3-5-4-15-6(13)12-5/h4,11H,1-3H2,(H,12,13)
InChIKeyMHVWQXYFJQLTRC-UHFFFAOYSA-N
XLogP1.06
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 78846841
4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380681
4-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380793
4-[(2,2-difluoroethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380934
4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380970
4-[(2-methoxyethylamino)methyl]-3H-1,3-thiazol-2-one
CID 103113155
4-[(1-ethoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379693
4-[(1-methoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380176
4-[(oxetan-3-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380308
4-[[2-(3-methoxypropoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380766
4-[(2-hydroxyethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380876
4-[(2-butoxyethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380910

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(trifluoromethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[2-(trifluoromethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one (CID 106381127) is 4-[[2-(trifluoromethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[2-(trifluoromethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[2-(trifluoromethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNCCOC(F)(F)F)cs1.
What is the InChIKey of 4-[[2-(trifluoromethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is MHVWQXYFJQLTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O2S/c8-7(9,10)14-2-1-11-3-5-4-15-6(13)12-5/h4,11H,1-3H2,(H,12,13).
What are the key properties of 4-[[2-(trifluoromethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[2-(trifluoromethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 242.22 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(trifluoromethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).