6-(4-methoxy-3-methylphenyl)-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid

C15H11F3N2O3S — CID 82035505

IUPAC6-(4-methoxy-3-methylphenyl)-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCOc1ccc(-c2cn3c(C(F)(F)F)c(C(=O)O)sc3n2)cc1C
InChIInChI=1S/C15H11F3N2O3S/c1-7-5-8(3-4-10(7)23-2)9-6-20-12(15(16,17)18)11(13(21)22)24-14(20)19-9/h3-6H,1-2H3,(H,21,22)
InChIKeySCNVPNMNFUAYCJ-UHFFFAOYSA-N
MW356.33 g/mol
LogP4.10
Rot. Bonds3

About 6-(4-methoxy-3-methylphenyl)-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid

6-(4-methoxy-3-methylphenyl)-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid (PubChem CID 82035505) has the molecular formula C15H11F3N2O3S and a molecular weight of 356.33 g/mol. Its IUPAC name is 6-(4-methoxy-3-methylphenyl)-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-methoxy-3-methylphenyl)-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
PubChem CID82035505
Molecular FormulaC15H11F3N2O3S
Molecular Weight356.33 g/mol
Exact Mass356.04
IUPAC Name6-(4-methoxy-3-methylphenyl)-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCOc1ccc(-c2cn3c(C(F)(F)F)c(C(=O)O)sc3n2)cc1C
InChIInChI=1S/C15H11F3N2O3S/c1-7-5-8(3-4-10(7)23-2)9-6-20-12(15(16,17)18)11(13(21)22)24-14(20)19-9/h3-6H,1-2H3,(H,21,22)
InChIKeySCNVPNMNFUAYCJ-UHFFFAOYSA-N
XLogP4.10
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(4-methoxy-3-methylphenyl)-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-methoxy-3-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035502
6-(3,4-dimethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 92914193
6-(4-ethoxyphenyl)-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035586
6-[4-(2-methylprop-2-enoxy)phenyl]-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035880
2-(4-methoxy-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-8-carboxylic acid
CID 82030723
6-(3,4-dimethylphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 39200580
methyl 6-(3,4-dimethylphenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 19224554
6-(4-methoxyphenyl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 121031572
2-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82133572
6-(4-methoxyphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 92914171
6-(3-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrochloride
CID 75539374
N-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 20861750

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxy-3-methylphenyl)-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The IUPAC name of 6-(4-methoxy-3-methylphenyl)-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid (CID 82035505) is 6-(4-methoxy-3-methylphenyl)-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid.
What is the SMILES notation for 6-(4-methoxy-3-methylphenyl)-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The canonical SMILES for 6-(4-methoxy-3-methylphenyl)-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid is COc1ccc(-c2cn3c(C(F)(F)F)c(C(=O)O)sc3n2)cc1C.
What is the InChIKey of 6-(4-methoxy-3-methylphenyl)-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The InChIKey is SCNVPNMNFUAYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O3S/c1-7-5-8(3-4-10(7)23-2)9-6-20-12(15(16,17)18)11(13(21)22)24-14(20)19-9/h3-6H,1-2H3,(H,21,22).
What are the key properties of 6-(4-methoxy-3-methylphenyl)-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
6-(4-methoxy-3-methylphenyl)-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid has a molecular weight of 356.33 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxy-3-methylphenyl)-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 82035505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).