ethyl 2-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetate

C8H9F3N2O4S2 — CID 43624466

IUPACethyl 2-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)C(F)(F)F)n1
InChIInChI=1S/C8H9F3N2O4S2/c1-2-17-6(14)3-5-4-18-7(12-5)13-19(15,16)8(9,10)11/h4H,2-3H2,1H3,(H,12,13)
InChIKeyDWIQDHNPZHEVDJ-UHFFFAOYSA-N
MW318.30 g/mol
LogP1.51
Rot. Bonds5

About ethyl 2-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 43624466) has the molecular formula C8H9F3N2O4S2 and a molecular weight of 318.30 g/mol. Its IUPAC name is ethyl 2-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetate
PubChem CID43624466
Molecular FormulaC8H9F3N2O4S2
Molecular Weight318.30 g/mol
Exact Mass318.00
IUPAC Nameethyl 2-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)C(F)(F)F)n1
InChIInChI=1S/C8H9F3N2O4S2/c1-2-17-6(14)3-5-4-18-7(12-5)13-19(15,16)8(9,10)11/h4H,2-3H2,1H3,(H,12,13)
InChIKeyDWIQDHNPZHEVDJ-UHFFFAOYSA-N
XLogP1.51
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetate (CID 43624466) is ethyl 2-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NS(=O)(=O)C(F)(F)F)n1.
What is the InChIKey of ethyl 2-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is DWIQDHNPZHEVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O4S2/c1-2-17-6(14)3-5-4-18-7(12-5)13-19(15,16)8(9,10)11/h4H,2-3H2,1H3,(H,12,13).
What are the key properties of ethyl 2-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 318.30 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 43624466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).