bis(N-(2-aminophenyl)-4-[(5-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);benzene-1,2-diamine;2-chloroacetaldehyde;ethanol;ethyl 4-[(5-bromo-1,3-thiazol-2-yl)amino]benzoate;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-(1,3-thiazol-2-ylamino)benzoate;molecular bromine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine — IUPAC name, SMILES, InChIKey & properties

Name: bis(N-(2-aminophenyl)-4-[(5-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);benzene-1,2-diamine;2-chloroacetaldehyde;ethanol;ethyl 4-[(5-bromo-1,3-thiazol-2-yl)amino]benzoate;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-(1,3-thiazol-2-ylamino)benzoate;molecular bromine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About bis(N-(2-aminophenyl)-4-[(5-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);benzene-1,2-diamine;2-chloroacetaldehyde;ethanol;ethyl 4-[(5-bromo-1,3-thiazol-2-yl)amino]benzoate;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-(1,3-thiazol-2-ylamino)benzoate;molecular bromine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine

bis(N-(2-aminophenyl)-4-[(5-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);benzene-1,2-diamine;2-chloroacetaldehyde;ethanol;ethyl 4-[(5-bromo-1,3-thiazol-2-yl)amino]benzoate;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-(1,3-thiazol-2-ylamino)benzoate;molecular bromine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine (PubChem CID 158204964) has the molecular formula C103H105BBr3ClN22O12S5 and a molecular weight of 2289.43 g/mol. Its IUPAC name is bis(N-(2-aminophenyl)-4-[(5-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);benzene-1,2-diamine;2-chloroacetaldehyde;ethanol;ethyl 4-[(5-bromo-1,3-thiazol-2-yl)amino]benzoate;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-(1,3-thiazol-2-ylamino)benzoate;molecular bromine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name	bis(N-(2-aminophenyl)-4-[(5-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);benzene-1,2-diamine;2-chloroacetaldehyde;ethanol;ethyl 4-[(5-bromo-1,3-thiazol-2-yl)amino]benzoate;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-(1,3-thiazol-2-ylamino)benzoate;molecular bromine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine
PubChem CID	158204964
Molecular Formula	C103H105BBr3ClN22O12S5
Molecular Weight	2289.43 g/mol
Exact Mass	2284.42
IUPAC Name	bis(N-(2-aminophenyl)-4-[(5-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);benzene-1,2-diamine;2-chloroacetaldehyde;ethanol;ethyl 4-[(5-bromo-1,3-thiazol-2-yl)amino]benzoate;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-(1,3-thiazol-2-ylamino)benzoate;molecular bromine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine
SMILES	BrBr.CC1(C)OB(c2cnc3ccccn23)OC1(C)C.CCO.CCOC(=O)c1ccc(NC(N)=S)cc1.CCOC(=O)c1ccc(Nc2ncc(Br)s2)cc1.CCOC(=O)c1ccc(Nc2nccs2)cc1.Nc1ccccc1N.Nc1ccccc1NC(=O)c1ccc(Nc2ncc(-c3cnc4ccccn34)s2)cc1.Nc1ccccc1NC(=O)c1ccc(Nc2ncc(-c3cnc4ccccn34)s2)cc1.O=CCCl
InChI	InChI=1S/2C23H18N6OS.C13H17BN2O2.C12H11BrN2O2S.C12H12N2O2S.C10H12N2O2S.C6H8N2.C2H3ClO.C2H6O.Br2/c224-17-5-1-2-6-18(17)28-22(30)15-8-10-16(11-9-15)27-23-26-14-20(31-23)19-13-25-21-7-3-4-12-29(19)21;1-12(2)13(3,4)18-14(17-12)10-9-15-11-7-5-6-8-16(10)11;1-2-17-11(16)8-3-5-9(6-4-8)15-12-14-7-10(13)18-12;1-2-16-11(15)9-3-5-10(6-4-9)14-12-13-7-8-17-12;1-2-14-9(13)7-3-5-8(6-4-7)12-10(11)15;7-5-3-1-2-4-6(5)8;3-1-2-4;1-2-3;1-2/h21-14H,24H2,(H,26,27)(H,28,30);5-9H,1-4H3;3-7H,2H2,1H3,(H,14,15);3-8H,2H2,1H3,(H,13,14);3-6H,2H2,1H3,(H3,11,12,15);1-4H,7-8H2;2H,1H2;3H,2H2,1H3;
InChIKey	GBJPEVVWDRYOOY-UHFFFAOYSA-N
XLogP	23.08
TPSA	486.57 Å²
H-Bond Donors	13
H-Bond Acceptors	35
Rotatable Bonds	23
Heavy Atoms	147
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2289.43
LogP ≤ 5	23.08
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

Structural Alerts	{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze bis(N-(2-aminophenyl)-4-[(5-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);benzene-1,2-diamine;2-chloroacetaldehyde;ethanol;ethyl 4-[(5-bromo-1,3-thiazol-2-yl)amino]benzoate;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-(1,3-thiazol-2-ylamino)benzoate;molecular bromine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(N-(2-aminophenyl)-4-[(5-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);benzene-1,2-diamine;2-chloroacetaldehyde;ethanol;ethyl 4-[(5-bromo-1,3-thiazol-2-yl)amino]benzoate;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-(1,3-thiazol-2-ylamino)benzoate;molecular bromine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine?

The IUPAC name of bis(N-(2-aminophenyl)-4-[(5-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);benzene-1,2-diamine;2-chloroacetaldehyde;ethanol;ethyl 4-[(5-bromo-1,3-thiazol-2-yl)amino]benzoate;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-(1,3-thiazol-2-ylamino)benzoate;molecular bromine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine (CID 158204964) is bis(N-(2-aminophenyl)-4-[(5-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);benzene-1,2-diamine;2-chloroacetaldehyde;ethanol;ethyl 4-[(5-bromo-1,3-thiazol-2-yl)amino]benzoate;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-(1,3-thiazol-2-ylamino)benzoate;molecular bromine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine.

What is the SMILES notation for bis(N-(2-aminophenyl)-4-[(5-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);benzene-1,2-diamine;2-chloroacetaldehyde;ethanol;ethyl 4-[(5-bromo-1,3-thiazol-2-yl)amino]benzoate;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-(1,3-thiazol-2-ylamino)benzoate;molecular bromine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine?

The canonical SMILES for bis(N-(2-aminophenyl)-4-[(5-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);benzene-1,2-diamine;2-chloroacetaldehyde;ethanol;ethyl 4-[(5-bromo-1,3-thiazol-2-yl)amino]benzoate;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-(1,3-thiazol-2-ylamino)benzoate;molecular bromine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine is BrBr.CC1(C)OB(c2cnc3ccccn23)OC1(C)C.CCO.CCOC(=O)c1ccc(NC(N)=S)cc1.CCOC(=O)c1ccc(Nc2ncc(Br)s2)cc1.CCOC(=O)c1ccc(Nc2nccs2)cc1.Nc1ccccc1N.Nc1ccccc1NC(=O)c1ccc(Nc2ncc(-c3cnc4ccccn34)s2)cc1.Nc1ccccc1NC(=O)c1ccc(Nc2ncc(-c3cnc4ccccn34)s2)cc1.O=CCCl.

What is the InChIKey of bis(N-(2-aminophenyl)-4-[(5-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);benzene-1,2-diamine;2-chloroacetaldehyde;ethanol;ethyl 4-[(5-bromo-1,3-thiazol-2-yl)amino]benzoate;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-(1,3-thiazol-2-ylamino)benzoate;molecular bromine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine?

The InChIKey is GBJPEVVWDRYOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H18N6OS.C13H17BN2O2.C12H11BrN2O2S.C12H12N2O2S.C10H12N2O2S.C6H8N2.C2H3ClO.C2H6O.Br2/c2*24-17-5-1-2-6-18(17)28-22(30)15-8-10-16(11-9-15)27-23-26-14-20(31-23)19-13-25-21-7-3-4-12-29(19)21;1-12(2)13(3,4)18-14(17-12)10-9-15-11-7-5-6-8-16(10)11;1-2-17-11(16)8-3-5-9(6-4-8)15-12-14-7-10(13)18-12;1-2-16-11(15)9-3-5-10(6-4-9)14-12-13-7-8-17-12;1-2-14-9(13)7-3-5-8(6-4-7)12-10(11)15;7-5-3-1-2-4-6(5)8;3-1-2-4;1-2-3;1-2/h2*1-14H,24H2,(H,26,27)(H,28,30);5-9H,1-4H3;3-7H,2H2,1H3,(H,14,15);3-8H,2H2,1H3,(H,13,14);3-6H,2H2,1H3,(H3,11,12,15);1-4H,7-8H2;2H,1H2;3H,2H2,1H3;.

What are the key properties of bis(N-(2-aminophenyl)-4-[(5-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);benzene-1,2-diamine;2-chloroacetaldehyde;ethanol;ethyl 4-[(5-bromo-1,3-thiazol-2-yl)amino]benzoate;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-(1,3-thiazol-2-ylamino)benzoate;molecular bromine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine?

Where does this data come from?

All data for bis(N-(2-aminophenyl)-4-[(5-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);benzene-1,2-diamine;2-chloroacetaldehyde;ethanol;ethyl 4-[(5-bromo-1,3-thiazol-2-yl)amino]benzoate;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-(1,3-thiazol-2-ylamino)benzoate;molecular bromine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 158204964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).