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

C11H9F3N2OS — CID 123213225

IUPAC2-methyl-1-[3-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]prop-2-en-1-one
SMILESC=C(C)C(=O)c1cn2c(C)c(C(F)(F)F)sc2n1
InChIInChI=1S/C11H9F3N2OS/c1-5(2)8(17)7-4-16-6(3)9(11(12,13)14)18-10(16)15-7/h4H,1H2,2-3H3
InChIKeyRNSKJWUOUIXPRS-UHFFFAOYSA-N
MW274.27 g/mol
LogP3.48
Rot. Bonds2

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

2-methyl-1-[3-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]prop-2-en-1-one (PubChem CID 123213225) has the molecular formula C11H9F3N2OS and a molecular weight of 274.27 g/mol. Its IUPAC name is 2-methyl-1-[3-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]prop-2-en-1-one.

Molecular Properties

Compound Name2-methyl-1-[3-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]prop-2-en-1-one
PubChem CID123213225
Molecular FormulaC11H9F3N2OS
Molecular Weight274.27 g/mol
Exact Mass274.04
IUPAC Name2-methyl-1-[3-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]prop-2-en-1-one
SMILESC=C(C)C(=O)c1cn2c(C)c(C(F)(F)F)sc2n1
InChIInChI=1S/C11H9F3N2OS/c1-5(2)8(17)7-4-16-6(3)9(11(12,13)14)18-10(16)15-7/h4H,1H2,2-3H3
InChIKeyRNSKJWUOUIXPRS-UHFFFAOYSA-N
XLogP3.48
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]prop-2-en-1-one?
The IUPAC name of 2-methyl-1-[3-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]prop-2-en-1-one (CID 123213225) is 2-methyl-1-[3-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]prop-2-en-1-one.
What is the SMILES notation for 2-methyl-1-[3-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]prop-2-en-1-one?
The canonical SMILES for 2-methyl-1-[3-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]prop-2-en-1-one is C=C(C)C(=O)c1cn2c(C)c(C(F)(F)F)sc2n1.
What is the InChIKey of 2-methyl-1-[3-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]prop-2-en-1-one?
The InChIKey is RNSKJWUOUIXPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2OS/c1-5(2)8(17)7-4-16-6(3)9(11(12,13)14)18-10(16)15-7/h4H,1H2,2-3H3.
What are the key properties of 2-methyl-1-[3-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]prop-2-en-1-one?
2-methyl-1-[3-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]prop-2-en-1-one has a molecular weight of 274.27 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]prop-2-en-1-one is sourced from PubChem (CID 123213225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).