5-methyl-6-phenyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid

C14H9F3N2O2S — CID 39200379

IUPAC5-methyl-6-phenyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCc1c(-c2ccccc2)nc2sc(C(=O)O)c(C(F)(F)F)n12
InChIInChI=1S/C14H9F3N2O2S/c1-7-9(8-5-3-2-4-6-8)18-13-19(7)11(14(15,16)17)10(22-13)12(20)21/h2-6H,1H3,(H,20,21)
InChIKeyBUMOWONICYEEIB-UHFFFAOYSA-N
MW326.30 g/mol
LogP4.09
Rot. Bonds2

About 5-methyl-6-phenyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid

5-methyl-6-phenyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid (PubChem CID 39200379) has the molecular formula C14H9F3N2O2S and a molecular weight of 326.30 g/mol. Its IUPAC name is 5-methyl-6-phenyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-6-phenyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
PubChem CID39200379
Molecular FormulaC14H9F3N2O2S
Molecular Weight326.30 g/mol
Exact Mass326.03
IUPAC Name5-methyl-6-phenyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCc1c(-c2ccccc2)nc2sc(C(=O)O)c(C(F)(F)F)n12
InChIInChI=1S/C14H9F3N2O2S/c1-7-9(8-5-3-2-4-6-8)18-13-19(7)11(14(15,16)17)10(22-13)12(20)21/h2-6H,1H3,(H,20,21)
InChIKeyBUMOWONICYEEIB-UHFFFAOYSA-N
XLogP4.09
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-phenyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The IUPAC name of 5-methyl-6-phenyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid (CID 39200379) is 5-methyl-6-phenyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid.
What is the SMILES notation for 5-methyl-6-phenyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The canonical SMILES for 5-methyl-6-phenyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid is Cc1c(-c2ccccc2)nc2sc(C(=O)O)c(C(F)(F)F)n12.
What is the InChIKey of 5-methyl-6-phenyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The InChIKey is BUMOWONICYEEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O2S/c1-7-9(8-5-3-2-4-6-8)18-13-19(7)11(14(15,16)17)10(22-13)12(20)21/h2-6H,1H3,(H,20,21).
What are the key properties of 5-methyl-6-phenyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
5-methyl-6-phenyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid has a molecular weight of 326.30 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-phenyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 39200379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).