4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid

C19H16N4O2S — CID 1117208

IUPAC4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid
SMILESCc1ccn2c(-c3csc(Nc4ccc(C(=O)O)cc4)n3)c(C)nc2c1
InChIInChI=1S/C19H16N4O2S/c1-11-7-8-23-16(9-11)20-12(2)17(23)15-10-26-19(22-15)21-14-5-3-13(4-6-14)18(24)25/h3-10H,1-2H3,(H,21,22)(H,24,25)
InChIKeyWCFVPEYROOCQPO-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.52
Rot. Bonds4

About 4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid

4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid (PubChem CID 1117208) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid
PubChem CID1117208
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid
SMILESCc1ccn2c(-c3csc(Nc4ccc(C(=O)O)cc4)n3)c(C)nc2c1
InChIInChI=1S/C19H16N4O2S/c1-11-7-8-23-16(9-11)20-12(2)17(23)15-10-26-19(22-15)21-14-5-3-13(4-6-14)18(24)25/h3-10H,1-2H3,(H,21,22)(H,24,25)
InChIKeyWCFVPEYROOCQPO-UHFFFAOYSA-N
XLogP4.52
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid with MolForge

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Related Compounds

4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoate
CID 6968515
4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(4-iodophenyl)-1,3-thiazol-2-amine;hydrobromide
CID 122509674
methyl 2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-7-carboxylate
CID 58163718
4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 3128435
4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(2-methylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 126478311
N-(2-chlorophenyl)-4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrobromide
CID 126478306
N-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide
CID 171669303
N-(5-chloro-2-methoxyphenyl)-4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
CID 1144673
N-(4-amino-1-phenylpyrazol-3-yl)-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide
CID 58163694
4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid
CID 877536
4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 1117219
4-[[4-(2,5-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 87078168

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid?
The IUPAC name of 4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid (CID 1117208) is 4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid.
What is the SMILES notation for 4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid?
The canonical SMILES for 4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid is Cc1ccn2c(-c3csc(Nc4ccc(C(=O)O)cc4)n3)c(C)nc2c1.
What is the InChIKey of 4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid?
The InChIKey is WCFVPEYROOCQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-11-7-8-23-16(9-11)20-12(2)17(23)15-10-26-19(22-15)21-14-5-3-13(4-6-14)18(24)25/h3-10H,1-2H3,(H,21,22)(H,24,25).
What are the key properties of 4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid?
4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid has a molecular weight of 364.43 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid is sourced from PubChem (CID 1117208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).