3-chloro-6-(2,4-dimethyl-1,3-thiazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid

C14H9ClF3N3O2S — CID 68743331

IUPAC3-chloro-6-(2,4-dimethyl-1,3-thiazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCc1nc(C)c(-c2cc(C(F)(F)F)c3nc(C(=O)O)c(Cl)n3c2)s1
InChIInChI=1S/C14H9ClF3N3O2S/c1-5-10(24-6(2)19-5)7-3-8(14(16,17)18)12-20-9(13(22)23)11(15)21(12)4-7/h3-4H,1-2H3,(H,22,23)
InChIKeyHYIGZOMMVDOURD-UHFFFAOYSA-N
MW375.76 g/mol
LogP4.45
Rot. Bonds2

About 3-chloro-6-(2,4-dimethyl-1,3-thiazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid

3-chloro-6-(2,4-dimethyl-1,3-thiazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 68743331) has the molecular formula C14H9ClF3N3O2S and a molecular weight of 375.76 g/mol. Its IUPAC name is 3-chloro-6-(2,4-dimethyl-1,3-thiazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-(2,4-dimethyl-1,3-thiazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID68743331
Molecular FormulaC14H9ClF3N3O2S
Molecular Weight375.76 g/mol
Exact Mass375.01
IUPAC Name3-chloro-6-(2,4-dimethyl-1,3-thiazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCc1nc(C)c(-c2cc(C(F)(F)F)c3nc(C(=O)O)c(Cl)n3c2)s1
InChIInChI=1S/C14H9ClF3N3O2S/c1-5-10(24-6(2)19-5)7-3-8(14(16,17)18)12-20-9(13(22)23)11(15)21(12)4-7/h3-4H,1-2H3,(H,22,23)
InChIKeyHYIGZOMMVDOURD-UHFFFAOYSA-N
XLogP4.45
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.76
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2,4-dimethyl-1,3-thiazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-(2,4-dimethyl-1,3-thiazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid (CID 68743331) is 3-chloro-6-(2,4-dimethyl-1,3-thiazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-(2,4-dimethyl-1,3-thiazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-(2,4-dimethyl-1,3-thiazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid is Cc1nc(C)c(-c2cc(C(F)(F)F)c3nc(C(=O)O)c(Cl)n3c2)s1.
What is the InChIKey of 3-chloro-6-(2,4-dimethyl-1,3-thiazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is HYIGZOMMVDOURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N3O2S/c1-5-10(24-6(2)19-5)7-3-8(14(16,17)18)12-20-9(13(22)23)11(15)21(12)4-7/h3-4H,1-2H3,(H,22,23).
What are the key properties of 3-chloro-6-(2,4-dimethyl-1,3-thiazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
3-chloro-6-(2,4-dimethyl-1,3-thiazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 375.76 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2,4-dimethyl-1,3-thiazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 68743331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).