2-imidazo[1,2-a]pyridin-2-yl-4-propan-2-yl-1,3-thiazole-5-carboxylic acid

C14H13N3O2S — CID 114360697

IUPAC2-imidazo[1,2-a]pyridin-2-yl-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
SMILESCC(C)c1nc(-c2cn3ccccc3n2)sc1C(=O)O
InChIInChI=1S/C14H13N3O2S/c1-8(2)11-12(14(18)19)20-13(16-11)9-7-17-6-4-3-5-10(17)15-9/h3-8H,1-2H3,(H,18,19)
InChIKeyAXXSDEDJQRRUKX-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.28
Rot. Bonds3

About 2-imidazo[1,2-a]pyridin-2-yl-4-propan-2-yl-1,3-thiazole-5-carboxylic acid

2-imidazo[1,2-a]pyridin-2-yl-4-propan-2-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 114360697) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-imidazo[1,2-a]pyridin-2-yl-4-propan-2-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-imidazo[1,2-a]pyridin-2-yl-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
PubChem CID114360697
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name2-imidazo[1,2-a]pyridin-2-yl-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
SMILESCC(C)c1nc(-c2cn3ccccc3n2)sc1C(=O)O
InChIInChI=1S/C14H13N3O2S/c1-8(2)11-12(14(18)19)20-13(16-11)9-7-17-6-4-3-5-10(17)15-9/h3-8H,1-2H3,(H,18,19)
InChIKeyAXXSDEDJQRRUKX-UHFFFAOYSA-N
XLogP3.28
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 121148887
5-imidazo[1,2-a]pyridin-2-yl-4-methyl-2-phenyl-1,3-thiazole
CID 4675031
2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine
CID 22380806
N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-3-methylbutanamide
CID 845423
2-imidazo[1,2-a]pyridin-2-yl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 66297754
methyl 4-formamido-2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-thiazole-5-carboxylate
CID 90820162
2-[(2-phenylacetyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226440
N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)acetamide
CID 121148942
2-(4-bromothiophen-2-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 114359852
(2-imidazo[1,2-a]pyridin-2-ylphenyl) hydrogen carbonate
CID 135030601
5-ethyl-4-hydroxy-6-imidazo[1,2-a]pyridin-2-yl-2-oxo-1H-pyridine-3-carboxylic acid
CID 71284093
1-imidazo[1,2-a]pyridin-2-ylethanone
CID 11194486

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[1,2-a]pyridin-2-yl-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-imidazo[1,2-a]pyridin-2-yl-4-propan-2-yl-1,3-thiazole-5-carboxylic acid (CID 114360697) is 2-imidazo[1,2-a]pyridin-2-yl-4-propan-2-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-imidazo[1,2-a]pyridin-2-yl-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-imidazo[1,2-a]pyridin-2-yl-4-propan-2-yl-1,3-thiazole-5-carboxylic acid is CC(C)c1nc(-c2cn3ccccc3n2)sc1C(=O)O.
What is the InChIKey of 2-imidazo[1,2-a]pyridin-2-yl-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is AXXSDEDJQRRUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-8(2)11-12(14(18)19)20-13(16-11)9-7-17-6-4-3-5-10(17)15-9/h3-8H,1-2H3,(H,18,19).
What are the key properties of 2-imidazo[1,2-a]pyridin-2-yl-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
2-imidazo[1,2-a]pyridin-2-yl-4-propan-2-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 287.34 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[1,2-a]pyridin-2-yl-4-propan-2-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114360697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).