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

C19H17BrN4O2S — CID 2877131

IUPAC4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;hydrobromide
SMILESBr.Cc1ccn2c(-c3csc(Nc4ccc(C(=O)O)cc4)n3)c(C)nc2c1
InChIInChI=1S/C19H16N4O2S.BrH/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);1H
InChIKeyOIEGMPVOJYPYEQ-UHFFFAOYSA-N
MW445.34 g/mol
LogP5.09
Rot. Bonds4

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

4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;hydrobromide (PubChem CID 2877131) has the molecular formula C19H17BrN4O2S and a molecular weight of 445.34 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;hydrobromide.

Molecular Properties

Compound Name4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;hydrobromide
PubChem CID2877131
Molecular FormulaC19H17BrN4O2S
Molecular Weight445.34 g/mol
Exact Mass444.03
IUPAC Name4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;hydrobromide
SMILESBr.Cc1ccn2c(-c3csc(Nc4ccc(C(=O)O)cc4)n3)c(C)nc2c1
InChIInChI=1S/C19H16N4O2S.BrH/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);1H
InChIKeyOIEGMPVOJYPYEQ-UHFFFAOYSA-N
XLogP5.09
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.34
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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;hydrobromide?
The IUPAC name of 4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;hydrobromide (CID 2877131) is 4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;hydrobromide.
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;hydrobromide?
The canonical SMILES for 4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;hydrobromide is Br.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;hydrobromide?
The InChIKey is OIEGMPVOJYPYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S.BrH/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);1H.
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;hydrobromide?
4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;hydrobromide has a molecular weight of 445.34 g/mol, XLogP of 5.09, 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;hydrobromide is sourced from PubChem (CID 2877131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).