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

C6H7F3N2OS — CID 103113133

IUPAC4-[(2,2,2-trifluoroethylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCC(F)(F)F)cs1
InChIInChI=1S/C6H7F3N2OS/c7-6(8,9)3-10-1-4-2-13-5(12)11-4/h2,10H,1,3H2,(H,11,12)
InChIKeyMVOWFRDCUGJFJE-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.09
Rot. Bonds3

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

4-[(2,2,2-trifluoroethylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 103113133) has the molecular formula C6H7F3N2OS and a molecular weight of 212.20 g/mol. Its IUPAC name is 4-[(2,2,2-trifluoroethylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(2,2,2-trifluoroethylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID103113133
Molecular FormulaC6H7F3N2OS
Molecular Weight212.20 g/mol
Exact Mass212.02
IUPAC Name4-[(2,2,2-trifluoroethylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCC(F)(F)F)cs1
InChIInChI=1S/C6H7F3N2OS/c7-6(8,9)3-10-1-4-2-13-5(12)11-4/h2,10H,1,3H2,(H,11,12)
InChIKeyMVOWFRDCUGJFJE-UHFFFAOYSA-N
XLogP1.09
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-Amino-1,1,1-trifluoropropan-2-yl)-4-methyl-1,3-thiazol-2-one
CID 43752836
3-(2-Aminoethyl)-4-(trifluoromethyl)-1,3-thiazol-2-one
CID 82508421
2,2,2-trifluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide
CID 103862883
4-[(1,1-difluoropropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379838
1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 106380586
4-[(2-fluoroethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380671
4-[(3-fluoropropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380734
4-[(3,3,3-trifluoropropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380737
4-[(4,4,4-trifluorobutylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380757
4-[(2,2-difluoroethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380934
3,3,3-trifluoro-2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]propanenitrile
CID 106380988
4-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381137

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2,2-trifluoroethylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(2,2,2-trifluoroethylamino)methyl]-3H-1,3-thiazol-2-one (CID 103113133) is 4-[(2,2,2-trifluoroethylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(2,2,2-trifluoroethylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(2,2,2-trifluoroethylamino)methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNCC(F)(F)F)cs1.
What is the InChIKey of 4-[(2,2,2-trifluoroethylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is MVOWFRDCUGJFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2OS/c7-6(8,9)3-10-1-4-2-13-5(12)11-4/h2,10H,1,3H2,(H,11,12).
What are the key properties of 4-[(2,2,2-trifluoroethylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(2,2,2-trifluoroethylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 212.20 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2,2-trifluoroethylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 103113133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).