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

C18H15BrN4O2S — CID 2877610

IUPAC3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;hydrobromide
SMILESBr.Cc1nc2ccccn2c1-c1csc(Nc2cccc(C(=O)O)c2)n1
InChIInChI=1S/C18H14N4O2S.BrH/c1-11-16(22-8-3-2-7-15(22)19-11)14-10-25-18(21-14)20-13-6-4-5-12(9-13)17(23)24;/h2-10H,1H3,(H,20,21)(H,23,24);1H
InChIKeyYIEKMQGGPFOWRI-UHFFFAOYSA-N
MW431.32 g/mol
LogP4.79
Rot. Bonds4

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

3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;hydrobromide (PubChem CID 2877610) has the molecular formula C18H15BrN4O2S and a molecular weight of 431.32 g/mol. Its IUPAC name is 3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;hydrobromide.

Molecular Properties

Compound Name3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;hydrobromide
PubChem CID2877610
Molecular FormulaC18H15BrN4O2S
Molecular Weight431.32 g/mol
Exact Mass430.01
IUPAC Name3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;hydrobromide
SMILESBr.Cc1nc2ccccn2c1-c1csc(Nc2cccc(C(=O)O)c2)n1
InChIInChI=1S/C18H14N4O2S.BrH/c1-11-16(22-8-3-2-7-15(22)19-11)14-10-25-18(21-14)20-13-6-4-5-12(9-13)17(23)24;/h2-10H,1H3,(H,20,21)(H,23,24);1H
InChIKeyYIEKMQGGPFOWRI-UHFFFAOYSA-N
XLogP4.79
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.32
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;hydrobromide?
The IUPAC name of 3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;hydrobromide (CID 2877610) is 3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;hydrobromide.
What is the SMILES notation for 3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;hydrobromide?
The canonical SMILES for 3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;hydrobromide is Br.Cc1nc2ccccn2c1-c1csc(Nc2cccc(C(=O)O)c2)n1.
What is the InChIKey of 3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;hydrobromide?
The InChIKey is YIEKMQGGPFOWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S.BrH/c1-11-16(22-8-3-2-7-15(22)19-11)14-10-25-18(21-14)20-13-6-4-5-12(9-13)17(23)24;/h2-10H,1H3,(H,20,21)(H,23,24);1H.
What are the key properties of 3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;hydrobromide?
3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;hydrobromide has a molecular weight of 431.32 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;hydrobromide is sourced from PubChem (CID 2877610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).