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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Related Compounds

3-(4-Pyridin-2-yl-thiazol-2-ylamino)-benzoic acid
CID 704421
3-[12-Methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]benzoic acid
CID 20823956
2-[6-(Ethylcarbamoylamino)-3-pyridinyl]-1,3-benzothiazole-7-carboxylic acid
CID 59208437
3-[4-(2-Methyl-imidazo[1,2-a]pyridin-3-yl)-thiazol-2-ylamino]-benzoic acid
CID 2230831
2-{1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-yl}thieno[3,2-b]pyridine-7-carboxylic acid
CID 133053887
3-[4-(2-Methyl-imidazo[1,2-a]pyrimidin-3-yl)-thiazol-2-ylamino]-benzoic acid
CID 1117205
2-[6-(Ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-1,3-benzothiazole-7-carboxylic acid
CID 72712260
4-[4-(2-Methyl-imidazo[1,2-a]pyridin-3-yl)-thiazol-2-ylamino]-benzoic acid
CID 697299
4-({[3-(4-methylbenzyl)-3H-imidazo[4,5-b]pyridin-2-yl]thio}methyl)benzoic acid
CID 16011318
4-[[4-(2,7-Dimethylimidazo[1,2-a]pyridin-3-yl)-2-thiazolyl]amino]benzoic Acid
CID 1117208
1-(3-{[4-(2,7-Dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)ethanone
CID 1239383
2-[({Imidazo[1,2-a]pyridin-2-yl}methyl)sulfanyl]benzoic acid
CID 3261728

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).