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

C8H5F3N2O2S — CID 82372552

IUPAC3-methyl-5-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole-2-carboxylic acid
SMILESCc1c(C(=O)O)sc2cnc(C(F)(F)F)n12
InChIInChI=1S/C8H5F3N2O2S/c1-3-5(6(14)15)16-4-2-12-7(13(3)4)8(9,10)11/h2H,1H3,(H,14,15)
InChIKeyQXZXOGGTLGHUNU-UHFFFAOYSA-N
MW250.20 g/mol
LogP2.42
Rot. Bonds1

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

3-methyl-5-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole-2-carboxylic acid (PubChem CID 82372552) has the molecular formula C8H5F3N2O2S and a molecular weight of 250.20 g/mol. Its IUPAC name is 3-methyl-5-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole-2-carboxylic acid
PubChem CID82372552
Molecular FormulaC8H5F3N2O2S
Molecular Weight250.20 g/mol
Exact Mass250.00
IUPAC Name3-methyl-5-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole-2-carboxylic acid
SMILESCc1c(C(=O)O)sc2cnc(C(F)(F)F)n12
InChIInChI=1S/C8H5F3N2O2S/c1-3-5(6(14)15)16-4-2-12-7(13(3)4)8(9,10)11/h2H,1H3,(H,14,15)
InChIKeyQXZXOGGTLGHUNU-UHFFFAOYSA-N
XLogP2.42
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.20
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetyl-3-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035938
6-ethyl-3,5-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035945
5-methyl-3-sulfanylidene-2H-[1,3]thiazolo[2,3-c][1,2,4]triazole-6-carboxylic acid
CID 54593922
3,6-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 55250632
2-(1,1-difluoroethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 146589738
2-(5-chloro-1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 107124594
1-pentan-3-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 61270535
2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 114553888
6-(4-ethylphenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 39200635
2-(trifluoromethyl)thieno[2,3-c]thiophene-4,6-dicarboxylic acid
CID 131986525
2-[2-(2-fluoropropan-2-yl)-3-methylimidazol-4-yl]acetic acid
CID 84775744
2-[3-(2-methylpropyl)-2-(trifluoromethyl)imidazol-4-yl]acetic acid
CID 83825395

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole-2-carboxylic acid?
The IUPAC name of 3-methyl-5-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole-2-carboxylic acid (CID 82372552) is 3-methyl-5-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole-2-carboxylic acid is Cc1c(C(=O)O)sc2cnc(C(F)(F)F)n12.
What is the InChIKey of 3-methyl-5-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole-2-carboxylic acid?
The InChIKey is QXZXOGGTLGHUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O2S/c1-3-5(6(14)15)16-4-2-12-7(13(3)4)8(9,10)11/h2H,1H3,(H,14,15).
What are the key properties of 3-methyl-5-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole-2-carboxylic acid?
3-methyl-5-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole-2-carboxylic acid has a molecular weight of 250.20 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 82372552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).