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

C18H15BrN4O2S — CID 2840131

IUPAC4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;hydrobromide
SMILESBr.Cc1nc2ccccn2c1-c1csc(Nc2ccc(C(=O)O)cc2)n1
InChIInChI=1S/C18H14N4O2S.BrH/c1-11-16(22-9-3-2-4-15(22)19-11)14-10-25-18(21-14)20-13-7-5-12(6-8-13)17(23)24;/h2-10H,1H3,(H,20,21)(H,23,24);1H
InChIKeyZFXBPLCTWSJTIB-UHFFFAOYSA-N
MW431.32 g/mol
LogP4.79
Rot. Bonds4

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

4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;hydrobromide (PubChem CID 2840131) has the molecular formula C18H15BrN4O2S and a molecular weight of 431.32 g/mol. Its IUPAC name is 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;hydrobromide.

Molecular Properties

Compound Name4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;hydrobromide
PubChem CID2840131
Molecular FormulaC18H15BrN4O2S
Molecular Weight431.32 g/mol
Exact Mass430.01
IUPAC Name4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;hydrobromide
SMILESBr.Cc1nc2ccccn2c1-c1csc(Nc2ccc(C(=O)O)cc2)n1
InChIInChI=1S/C18H14N4O2S.BrH/c1-11-16(22-9-3-2-4-15(22)19-11)14-10-25-18(21-14)20-13-7-5-12(6-8-13)17(23)24;/h2-10H,1H3,(H,20,21)(H,23,24);1H
InChIKeyZFXBPLCTWSJTIB-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
4-(4-Pyridin-3-yl-thiazol-2-ylamino)-benzoic acid
CID 704565
4-{[(2s)-2-Cyclohexyl-2-{5,6-Difluoro-2-[4-(1,3-Thiazol-2-Yl)phenyl]-1h-Benzimidazol-1-Yl}acetyl]amino}benzoic Acid
CID 126962422
(E)-3-[2-n-Butyl-1-{4-carboxyphenyl}-1H-imidazol-5-yl]-2-(2-thienyl)methyl-2-propenoic acid
CID 14952944
3-[4-(2-Methyl-imidazo[1,2-a]pyridin-3-yl)-thiazol-2-ylamino]-benzoic acid
CID 2230831
4-{[4-Amino-5-(Pyridin-3-Ylcarbonyl)-1,3-Thiazol-2-Yl]amino}benzoic Acid
CID 73347326
3-[4-(2-Methyl-imidazo[1,2-a]pyrimidin-3-yl)-thiazol-2-ylamino]-benzoic acid
CID 1117205
1-Ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)benzimidazole-5-carboxylic acid
CID 2123860
1-Ethyl-2-[(1-methylimidazol-2-yl)sulfanylmethyl]benzimidazole-5-carboxylic acid
CID 2999671
4-[[(E)-3-(1-methyl-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)-3-oxoprop-1-enyl]amino]benzoic acid
CID 162670567
1H-Benzimidazole-5-carboxylic acid, 1-cyclohexyl-2-(2-thiazolyl)-
CID 491110
4-[4-(2-Methyl-imidazo[1,2-a]pyridin-3-yl)-thiazol-2-ylamino]-benzoic acid
CID 697299

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;hydrobromide?
The IUPAC name of 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;hydrobromide (CID 2840131) is 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;hydrobromide.
What is the SMILES notation for 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;hydrobromide?
The canonical SMILES for 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;hydrobromide is Br.Cc1nc2ccccn2c1-c1csc(Nc2ccc(C(=O)O)cc2)n1.
What is the InChIKey of 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;hydrobromide?
The InChIKey is ZFXBPLCTWSJTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S.BrH/c1-11-16(22-9-3-2-4-15(22)19-11)14-10-25-18(21-14)20-13-7-5-12(6-8-13)17(23)24;/h2-10H,1H3,(H,20,21)(H,23,24);1H.
What are the key properties of 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;hydrobromide?
4-[[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 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;hydrobromide is sourced from PubChem (CID 2840131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).