methyl 3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoate

C10H9F3N2O2S — CID 81497120

IUPACmethyl 3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoate
SMILESCOC(=O)CCc1csc2nc(C(F)(F)F)cn12
InChIInChI=1S/C10H9F3N2O2S/c1-17-8(16)3-2-6-5-18-9-14-7(4-15(6)9)10(11,12)13/h4-5H,2-3H2,1H3
InChIKeyDVCRKISHQGEOQZ-UHFFFAOYSA-N
MW278.25 g/mol
LogP2.52
Rot. Bonds3

About methyl 3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoate

methyl 3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoate (PubChem CID 81497120) has the molecular formula C10H9F3N2O2S and a molecular weight of 278.25 g/mol. Its IUPAC name is methyl 3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoate
PubChem CID81497120
Molecular FormulaC10H9F3N2O2S
Molecular Weight278.25 g/mol
Exact Mass278.03
IUPAC Namemethyl 3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoate
SMILESCOC(=O)CCc1csc2nc(C(F)(F)F)cn12
InChIInChI=1S/C10H9F3N2O2S/c1-17-8(16)3-2-6-5-18-9-14-7(4-15(6)9)10(11,12)13/h4-5H,2-3H2,1H3
InChIKeyDVCRKISHQGEOQZ-UHFFFAOYSA-N
XLogP2.52
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoate?
The IUPAC name of methyl 3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoate (CID 81497120) is methyl 3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoate.
What is the SMILES notation for methyl 3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoate?
The canonical SMILES for methyl 3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoate is COC(=O)CCc1csc2nc(C(F)(F)F)cn12.
What is the InChIKey of methyl 3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoate?
The InChIKey is DVCRKISHQGEOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2S/c1-17-8(16)3-2-6-5-18-9-14-7(4-15(6)9)10(11,12)13/h4-5H,2-3H2,1H3.
What are the key properties of methyl 3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoate?
methyl 3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoate has a molecular weight of 278.25 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoate is sourced from PubChem (CID 81497120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).