ethyl N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]carbamate

C9H10F3N3O3S — CID 71708650

IUPACethyl N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]carbamate
SMILESCCOC(=O)NC1(C(F)(F)F)N=C2SCCN2C1=O
InChIInChI=1S/C9H10F3N3O3S/c1-2-18-7(17)14-8(9(10,11)12)5(16)15-3-4-19-6(15)13-8/h2-4H2,1H3,(H,14,17)
InChIKeyWNWSUXOWERDCAO-UHFFFAOYSA-N
MW297.26 g/mol
LogP0.94
Rot. Bonds2

About ethyl N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]carbamate

ethyl N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]carbamate (PubChem CID 71708650) has the molecular formula C9H10F3N3O3S and a molecular weight of 297.26 g/mol. Its IUPAC name is ethyl N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]carbamate
PubChem CID71708650
Molecular FormulaC9H10F3N3O3S
Molecular Weight297.26 g/mol
Exact Mass297.04
IUPAC Nameethyl N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]carbamate
SMILESCCOC(=O)NC1(C(F)(F)F)N=C2SCCN2C1=O
InChIInChI=1S/C9H10F3N3O3S/c1-2-18-7(17)14-8(9(10,11)12)5(16)15-3-4-19-6(15)13-8/h2-4H2,1H3,(H,14,17)
InChIKeyWNWSUXOWERDCAO-UHFFFAOYSA-N
XLogP0.94
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.26
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]carbamate?
The IUPAC name of ethyl N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]carbamate (CID 71708650) is ethyl N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]carbamate.
What is the SMILES notation for ethyl N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]carbamate?
The canonical SMILES for ethyl N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]carbamate is CCOC(=O)NC1(C(F)(F)F)N=C2SCCN2C1=O.
What is the InChIKey of ethyl N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]carbamate?
The InChIKey is WNWSUXOWERDCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O3S/c1-2-18-7(17)14-8(9(10,11)12)5(16)15-3-4-19-6(15)13-8/h2-4H2,1H3,(H,14,17).
What are the key properties of ethyl N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]carbamate?
ethyl N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]carbamate has a molecular weight of 297.26 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]carbamate is sourced from PubChem (CID 71708650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).