3-(4-chlorophenyl)-2-ethyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid

C15H10ClF3N2O2S — CID 82035290

IUPAC3-(4-chlorophenyl)-2-ethyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCCc1sc2nc(C(F)(F)F)c(C(=O)O)n2c1-c1ccc(Cl)cc1
InChIInChI=1S/C15H10ClF3N2O2S/c1-2-9-10(7-3-5-8(16)6-4-7)21-11(13(22)23)12(15(17,18)19)20-14(21)24-9/h3-6H,2H2,1H3,(H,22,23)
InChIKeyVSHGASXSZTVQNC-UHFFFAOYSA-N
MW374.77 g/mol
LogP5.00
Rot. Bonds3

About 3-(4-chlorophenyl)-2-ethyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid

3-(4-chlorophenyl)-2-ethyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 82035290) has the molecular formula C15H10ClF3N2O2S and a molecular weight of 374.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-ethyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-ethyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID82035290
Molecular FormulaC15H10ClF3N2O2S
Molecular Weight374.77 g/mol
Exact Mass374.01
IUPAC Name3-(4-chlorophenyl)-2-ethyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCCc1sc2nc(C(F)(F)F)c(C(=O)O)n2c1-c1ccc(Cl)cc1
InChIInChI=1S/C15H10ClF3N2O2S/c1-2-9-10(7-3-5-8(16)6-4-7)21-11(13(22)23)12(15(17,18)19)20-14(21)24-9/h3-6H,2H2,1H3,(H,22,23)
InChIKeyVSHGASXSZTVQNC-UHFFFAOYSA-N
XLogP5.00
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.77
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-3-(4-fluorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035323
2,6-diethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 39200534
3-(4-ethoxyphenyl)-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035582
2-ethyl-3-phenyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 39200447
3-(2,4-dichlorophenyl)-2-ethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035359
2-ethyl-6-methyl-3-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035892
2-[4-(4-chlorophenyl)-5-ethyl-2-oxo-1,3-thiazol-3-yl]acetic acid
CID 82027973
3-(3,4-dichlorophenyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035537
2-(4-ethylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 82308450
2,6-diethyl-3-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035727
3-(4-tert-butylphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198964
2-ethyl-3,6-bis(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198367

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-ethyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 3-(4-chlorophenyl)-2-ethyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 82035290) is 3-(4-chlorophenyl)-2-ethyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-2-ethyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 3-(4-chlorophenyl)-2-ethyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is CCc1sc2nc(C(F)(F)F)c(C(=O)O)n2c1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-ethyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is VSHGASXSZTVQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2O2S/c1-2-9-10(7-3-5-8(16)6-4-7)21-11(13(22)23)12(15(17,18)19)20-14(21)24-9/h3-6H,2H2,1H3,(H,22,23).
What are the key properties of 3-(4-chlorophenyl)-2-ethyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
3-(4-chlorophenyl)-2-ethyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 374.77 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-ethyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 82035290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).