N-(2-aminophenyl)-4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide;benzene-1,2-diamine;2-bromo-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;1,2-dibromoethane;ethanol;methyl 4-(1-carbamothioylcyclopropyl)benzoate;4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzoic acid;methyl 4-(1-isocyanocyclopropyl)benzoate;methyl 4-(isocyanomethyl)benzoate;methyl 4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzoate;sulfane

C124H121Br3N18O13S5 — CID 158619893

About N-(2-aminophenyl)-4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide;benzene-1,2-diamine;2-bromo-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;1,2-dibromoethane;ethanol;methyl 4-(1-carbamothioylcyclopropyl)benzoate;4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzoic acid;methyl 4-(1-isocyanocyclopropyl)benzoate;methyl 4-(isocyanomethyl)benzoate;methyl 4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzoate;sulfane

N-(2-aminophenyl)-4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide;benzene-1,2-diamine;2-bromo-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;1,2-dibromoethane;ethanol;methyl 4-(1-carbamothioylcyclopropyl)benzoate;4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzoic acid;methyl 4-(1-isocyanocyclopropyl)benzoate;methyl 4-(isocyanomethyl)benzoate;methyl 4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzoate;sulfane (PubChem CID 158619893) has the molecular formula C124H121Br3N18O13S5 and a molecular weight of 2471.49 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide;benzene-1,2-diamine;2-bromo-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;1,2-dibromoethane;ethanol;methyl 4-(1-carbamothioylcyclopropyl)benzoate;4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzoic acid;methyl 4-(1-isocyanocyclopropyl)benzoate;methyl 4-(isocyanomethyl)benzoate;methyl 4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzoate;sulfane.

Molecular Properties

• Compound Name: N-(2-aminophenyl)-4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide;benzene-1,2-diamine;2-bromo-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;1,2-dibromoethane;ethanol;methyl 4-(1-carbamothioylcyclopropyl)benzoate;4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzoic acid;methyl 4-(1-isocyanocyclopropyl)benzoate;methyl 4-(isocyanomethyl)benzoate;methyl 4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzoate;sulfane
• PubChem CID: 158619893
• Molecular Formula: C124H121Br3N18O13S5
• Molecular Weight: 2471.49 g/mol
• Exact Mass: 2466.55
• IUPAC Name: N-(2-aminophenyl)-4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide;benzene-1,2-diamine;2-bromo-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;1,2-dibromoethane;ethanol;methyl 4-(1-carbamothioylcyclopropyl)benzoate;4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzoic acid;methyl 4-(1-isocyanocyclopropyl)benzoate;methyl 4-(isocyanomethyl)benzoate;methyl 4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzoate;sulfane
• SMILES: BrCCBr.CCO.COC(=O)c1ccc(C2(C(N)=S)CC2)cc1.COC(=O)c1ccc(C2(c3nc(-c4c(C)nc5ccccn45)cs3)CC2)cc1.Cc1nc2ccccn2c1-c1csc(C2(c3ccc(C(=O)Nc4ccccc4N)cc3)CC2)n1.Cc1nc2ccccn2c1-c1csc(C2(c3ccc(C(=O)O)cc3)CC2)n1.Cc1nc2ccccn2c1C(=O)CBr.Nc1ccccc1N.S.[C-]#[N+]C1(c2ccc(C(=O)OC)cc2)CC1.[C-]#[N+]Cc1ccc(C(=O)OC)cc1
• InChI: InChI=1S/C27H23N5OS.C22H19N3O2S.C21H17N3O2S.C12H13NO2S.C12H11NO2.C10H9BrN2O.C10H9NO2.C6H8N2.C2H4Br2.C2H6O.H2S/c1-17-24(32-15-5-4-8-23(32)29-17)22-16-34-26(31-22)27(13-14-27)19-11-9-18(10-12-19)25(33)30-21-7-3-2-6-20(21)28;1-14-19(25-12-4-3-5-18(25)23-14)17-13-28-21(24-17)22(10-11-22)16-8-6-15(7-9-16)20(26)27-2;1-13-18(24-11-3-2-4-17(24)22-13)16-12-27-20(23-16)21(9-10-21)15-7-5-14(6-8-15)19(25)26;1-15-10(14)8-2-4-9(5-3-8)12(6-7-12)11(13)16;1-13-12(7-8-12)10-5-3-9(4-6-10)11(14)15-2;1-7-10(8(14)6-11)13-5-3-2-4-9(13)12-7;1-11-7-8-3-5-9(6-4-8)10(12)13-2;7-5-3-1-2-4-6(5)8;3-1-2-4;1-2-3;/h2-12,15-16H,13-14,28H2,1H3,(H,30,33);3-9,12-13H,10-11H2,1-2H3;2-8,11-12H,9-10H2,1H3,(H,25,26);2-5H,6-7H2,1H3,(H2,13,16);3-6H,7-8H2,2H3;2-5H,6H2,1H3;3-6H,7H2,2H3;1-4H,7-8H2;1-2H2;3H,2H2,1H3;1H2
• InChIKey: HXWCJUIAZGJYPA-UHFFFAOYSA-N
• XLogP: 25.88
• TPSA: 429.57 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 23
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2471.49
LogP ≤ 5	25.88
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide;benzene-1,2-diamine;2-bromo-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;1,2-dibromoethane;ethanol;methyl 4-(1-carbamothioylcyclopropyl)benzoate;4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzoic acid;methyl 4-(1-isocyanocyclopropyl)benzoate;methyl 4-(isocyanomethyl)benzoate;methyl 4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzoate;sulfane?

The IUPAC name of N-(2-aminophenyl)-4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide;benzene-1,2-diamine;2-bromo-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;1,2-dibromoethane;ethanol;methyl 4-(1-carbamothioylcyclopropyl)benzoate;4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzoic acid;methyl 4-(1-isocyanocyclopropyl)benzoate;methyl 4-(isocyanomethyl)benzoate;methyl 4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzoate;sulfane (CID 158619893) is N-(2-aminophenyl)-4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide;benzene-1,2-diamine;2-bromo-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;1,2-dibromoethane;ethanol;methyl 4-(1-carbamothioylcyclopropyl)benzoate;4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzoic acid;methyl 4-(1-isocyanocyclopropyl)benzoate;methyl 4-(isocyanomethyl)benzoate;methyl 4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzoate;sulfane.

What is the SMILES notation for N-(2-aminophenyl)-4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide;benzene-1,2-diamine;2-bromo-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;1,2-dibromoethane;ethanol;methyl 4-(1-carbamothioylcyclopropyl)benzoate;4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzoic acid;methyl 4-(1-isocyanocyclopropyl)benzoate;methyl 4-(isocyanomethyl)benzoate;methyl 4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzoate;sulfane?

The canonical SMILES for N-(2-aminophenyl)-4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide;benzene-1,2-diamine;2-bromo-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;1,2-dibromoethane;ethanol;methyl 4-(1-carbamothioylcyclopropyl)benzoate;4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzoic acid;methyl 4-(1-isocyanocyclopropyl)benzoate;methyl 4-(isocyanomethyl)benzoate;methyl 4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzoate;sulfane is BrCCBr.CCO.COC(=O)c1ccc(C2(C(N)=S)CC2)cc1.COC(=O)c1ccc(C2(c3nc(-c4c(C)nc5ccccn45)cs3)CC2)cc1.Cc1nc2ccccn2c1-c1csc(C2(c3ccc(C(=O)Nc4ccccc4N)cc3)CC2)n1.Cc1nc2ccccn2c1-c1csc(C2(c3ccc(C(=O)O)cc3)CC2)n1.Cc1nc2ccccn2c1C(=O)CBr.Nc1ccccc1N.S.[C-]#[N+]C1(c2ccc(C(=O)OC)cc2)CC1.[C-]#[N+]Cc1ccc(C(=O)OC)cc1.

What is the InChIKey of N-(2-aminophenyl)-4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide;benzene-1,2-diamine;2-bromo-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;1,2-dibromoethane;ethanol;methyl 4-(1-carbamothioylcyclopropyl)benzoate;4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzoic acid;methyl 4-(1-isocyanocyclopropyl)benzoate;methyl 4-(isocyanomethyl)benzoate;methyl 4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzoate;sulfane?

The InChIKey is HXWCJUIAZGJYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5OS.C22H19N3O2S.C21H17N3O2S.C12H13NO2S.C12H11NO2.C10H9BrN2O.C10H9NO2.C6H8N2.C2H4Br2.C2H6O.H2S/c1-17-24(32-15-5-4-8-23(32)29-17)22-16-34-26(31-22)27(13-14-27)19-11-9-18(10-12-19)25(33)30-21-7-3-2-6-20(21)28;1-14-19(25-12-4-3-5-18(25)23-14)17-13-28-21(24-17)22(10-11-22)16-8-6-15(7-9-16)20(26)27-2;1-13-18(24-11-3-2-4-17(24)22-13)16-12-27-20(23-16)21(9-10-21)15-7-5-14(6-8-15)19(25)26;1-15-10(14)8-2-4-9(5-3-8)12(6-7-12)11(13)16;1-13-12(7-8-12)10-5-3-9(4-6-10)11(14)15-2;1-7-10(8(14)6-11)13-5-3-2-4-9(13)12-7;1-11-7-8-3-5-9(6-4-8)10(12)13-2;7-5-3-1-2-4-6(5)8;3-1-2-4;1-2-3;/h2-12,15-16H,13-14,28H2,1H3,(H,30,33);3-9,12-13H,10-11H2,1-2H3;2-8,11-12H,9-10H2,1H3,(H,25,26);2-5H,6-7H2,1H3,(H2,13,16);3-6H,7-8H2,2H3;2-5H,6H2,1H3;3-6H,7H2,2H3;1-4H,7-8H2;1-2H2;3H,2H2,1H3;1H2.

What are the key properties of N-(2-aminophenyl)-4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide;benzene-1,2-diamine;2-bromo-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;1,2-dibromoethane;ethanol;methyl 4-(1-carbamothioylcyclopropyl)benzoate;4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzoic acid;methyl 4-(1-isocyanocyclopropyl)benzoate;methyl 4-(isocyanomethyl)benzoate;methyl 4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzoate;sulfane?

N-(2-aminophenyl)-4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide;benzene-1,2-diamine;2-bromo-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;1,2-dibromoethane;ethanol;methyl 4-(1-carbamothioylcyclopropyl)benzoate;4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzoic acid;methyl 4-(1-isocyanocyclopropyl)benzoate;methyl 4-(isocyanomethyl)benzoate;methyl 4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzoate;sulfane has a molecular weight of 2471.49 g/mol, XLogP of 25.88, 23 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminophenyl)-4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide;benzene-1,2-diamine;2-bromo-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;1,2-dibromoethane;ethanol;methyl 4-(1-carbamothioylcyclopropyl)benzoate;4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzoic acid;methyl 4-(1-isocyanocyclopropyl)benzoate;methyl 4-(isocyanomethyl)benzoate;methyl 4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzoate;sulfane is sourced from PubChem (CID 158619893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).