3-methoxy-2-[[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]prop-2-enoic acid

C11H9F3N2O3S — CID 54267909

IUPAC3-methoxy-2-[[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]prop-2-enoic acid
SMILESCOC=C(Cc1csc2nc(C(F)(F)F)cn12)C(=O)O
InChIInChI=1S/C11H9F3N2O3S/c1-19-4-6(9(17)18)2-7-5-20-10-15-8(3-16(7)10)11(12,13)14/h3-5H,2H2,1H3,(H,17,18)
InChIKeyRIBADPFOZQGJMP-UHFFFAOYSA-N
MW306.27 g/mol
LogP2.57
Rot. Bonds4

About 3-methoxy-2-[[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]prop-2-enoic acid

3-methoxy-2-[[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]prop-2-enoic acid (PubChem CID 54267909) has the molecular formula C11H9F3N2O3S and a molecular weight of 306.27 g/mol. Its IUPAC name is 3-methoxy-2-[[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-methoxy-2-[[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]prop-2-enoic acid
PubChem CID54267909
Molecular FormulaC11H9F3N2O3S
Molecular Weight306.27 g/mol
Exact Mass306.03
IUPAC Name3-methoxy-2-[[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]prop-2-enoic acid
SMILESCOC=C(Cc1csc2nc(C(F)(F)F)cn12)C(=O)O
InChIInChI=1S/C11H9F3N2O3S/c1-19-4-6(9(17)18)2-7-5-20-10-15-8(3-16(7)10)11(12,13)14/h3-5H,2H2,1H3,(H,17,18)
InChIKeyRIBADPFOZQGJMP-UHFFFAOYSA-N
XLogP2.57
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]prop-2-enoic acid?
The IUPAC name of 3-methoxy-2-[[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]prop-2-enoic acid (CID 54267909) is 3-methoxy-2-[[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]prop-2-enoic acid.
What is the SMILES notation for 3-methoxy-2-[[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]prop-2-enoic acid?
The canonical SMILES for 3-methoxy-2-[[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]prop-2-enoic acid is COC=C(Cc1csc2nc(C(F)(F)F)cn12)C(=O)O.
What is the InChIKey of 3-methoxy-2-[[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]prop-2-enoic acid?
The InChIKey is RIBADPFOZQGJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O3S/c1-19-4-6(9(17)18)2-7-5-20-10-15-8(3-16(7)10)11(12,13)14/h3-5H,2H2,1H3,(H,17,18).
What are the key properties of 3-methoxy-2-[[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]prop-2-enoic acid?
3-methoxy-2-[[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]prop-2-enoic acid has a molecular weight of 306.27 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]prop-2-enoic acid is sourced from PubChem (CID 54267909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).