2-bromo-1-imidazo[1,2-a]pyridin-3-ylethanone;ethanol;ethyl 3-(carbamothioylamino)benzoate;ethyl 3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoate;N-hydroxy-3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;2-hydroxy-1-[3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]ethanone

C75H68BrN17O10S4 — CID 158933506

IUPAC2-bromo-1-imidazo[1,2-a]pyridin-3-ylethanone;ethanol;ethyl 3-(carbamothioylamino)benzoate;ethyl 3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoate;N-hydroxy-3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;2-hydroxy-1-[3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]ethanone
SMILESCCO.CCOC(=O)c1cccc(NC(N)=S)c1.CCOC(=O)c1cccc(Nc2nc(-c3cnc4ccccn34)cs2)c1.O=C(CBr)c1cnc2ccccn12.O=C(CO)c1cccc(Nc2nc(-c3cnc4ccccn34)cs2)c1.O=C(NO)c1cccc(Nc2nc(-c3cnc4ccccn34)cs2)c1
InChIInChI=1S/C19H16N4O2S.C18H14N4O2S.C17H13N5O2S.C10H12N2O2S.C9H7BrN2O.C2H6O/c1-2-25-18(24)13-6-5-7-14(10-13)21-19-22-15(12-26-19)16-11-20-17-8-3-4-9-23(16)17;23-10-16(24)12-4-3-5-13(8-12)20-18-21-14(11-25-18)15-9-19-17-6-1-2-7-22(15)17;23-16(21-24)11-4-3-5-12(8-11)19-17-20-13(10-25-17)14-9-18-15-6-1-2-7-22(14)15;1-2-14-9(13)7-4-3-5-8(6-7)12-10(11)15;10-5-8(13)7-6-11-9-3-1-2-4-12(7)9;1-2-3/h3-12H,2H2,1H3,(H,21,22);1-9,11,23H,10H2,(H,20,21);1-10,24H,(H,19,20)(H,21,23);3-6H,2H2,1H3,(H3,11,12,15);1-4,6H,5H2;3H,2H2,1H3
InChIKeyJJJAUBRQBUGBMQ-UHFFFAOYSA-N
MW1575.65 g/mol
LogP14.50
Rot. Bonds19

About 2-bromo-1-imidazo[1,2-a]pyridin-3-ylethanone;ethanol;ethyl 3-(carbamothioylamino)benzoate;ethyl 3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoate;N-hydroxy-3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;2-hydroxy-1-[3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]ethanone

2-bromo-1-imidazo[1,2-a]pyridin-3-ylethanone;ethanol;ethyl 3-(carbamothioylamino)benzoate;ethyl 3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoate;N-hydroxy-3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;2-hydroxy-1-[3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]ethanone (PubChem CID 158933506) has the molecular formula C75H68BrN17O10S4 and a molecular weight of 1575.65 g/mol. Its IUPAC name is 2-bromo-1-imidazo[1,2-a]pyridin-3-ylethanone;ethanol;ethyl 3-(carbamothioylamino)benzoate;ethyl 3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoate;N-hydroxy-3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;2-hydroxy-1-[3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name2-bromo-1-imidazo[1,2-a]pyridin-3-ylethanone;ethanol;ethyl 3-(carbamothioylamino)benzoate;ethyl 3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoate;N-hydroxy-3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;2-hydroxy-1-[3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]ethanone
PubChem CID158933506
Molecular FormulaC75H68BrN17O10S4
Molecular Weight1575.65 g/mol
Exact Mass1573.34
IUPAC Name2-bromo-1-imidazo[1,2-a]pyridin-3-ylethanone;ethanol;ethyl 3-(carbamothioylamino)benzoate;ethyl 3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoate;N-hydroxy-3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;2-hydroxy-1-[3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]ethanone
SMILESCCO.CCOC(=O)c1cccc(NC(N)=S)c1.CCOC(=O)c1cccc(Nc2nc(-c3cnc4ccccn34)cs2)c1.O=C(CBr)c1cnc2ccccn12.O=C(CO)c1cccc(Nc2nc(-c3cnc4ccccn34)cs2)c1.O=C(NO)c1cccc(Nc2nc(-c3cnc4ccccn34)cs2)c1
InChIInChI=1S/C19H16N4O2S.C18H14N4O2S.C17H13N5O2S.C10H12N2O2S.C9H7BrN2O.C2H6O/c1-2-25-18(24)13-6-5-7-14(10-13)21-19-22-15(12-26-19)16-11-20-17-8-3-4-9-23(16)17;23-10-16(24)12-4-3-5-13(8-12)20-18-21-14(11-25-18)15-9-19-17-6-1-2-7-22(15)17;23-16(21-24)11-4-3-5-12(8-11)19-17-20-13(10-25-17)14-9-18-15-6-1-2-7-22(14)15;1-2-14-9(13)7-4-3-5-8(6-7)12-10(11)15;10-5-8(13)7-6-11-9-3-1-2-4-12(7)9;1-2-3/h3-12H,2H2,1H3,(H,21,22);1-9,11,23H,10H2,(H,20,21);1-10,24H,(H,19,20)(H,21,23);3-6H,2H2,1H3,(H3,11,12,15);1-4,6H,5H2;3H,2H2,1H3
InChIKeyJJJAUBRQBUGBMQ-UHFFFAOYSA-N
XLogP14.50
TPSA358.54 Ų
H-Bond Donors9
H-Bond Acceptors28
Rotatable Bonds19
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001575.65
LogP ≤ 514.50
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-bromo-1-imidazo[1,2-a]pyridin-3-ylethanone;ethanol;ethyl 3-(carbamothioylamino)benzoate;ethyl 3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoate;N-hydroxy-3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;2-hydroxy-1-[3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]ethanone with MolForge

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Related Compounds

1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methylphenyl)ethanone
CID 58163684
(4-acetamido-2-hydroxyphenyl)arsonic acid;ethyl 3-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoate
CID 174554176
1-[3-[(5-imidazo[1,2-a]pyridin-3-yl-4-methyl-1,3-thiazol-2-yl)amino]phenyl]-2-(2-methyl-3-pyridinyl)ethanone
CID 58163776
methyl 3-[[4-[5-[2-(3-methoxycarbonylanilino)-1,3-thiazol-4-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]benzoate
CID 139227752
N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-amine
CID 88887683
ethyl 3-[(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]benzoate
CID 50847842
1-[3-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one
CID 58163803
benzene-1,2-diamine;2-bromo-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]benzoate;ethyl 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-(2,2,2-trifluoroethyl)amino]benzoate;N-hydroxy-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-(2,2,2-trifluoroethyl)amino]benzamide;4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-(2,2,2-trifluoroethyl)amino]benzoic acid;4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-(2,2,2-trifluoroethyl)amino]-N-phenylbenzamide
CID 162139736
2-bromo-1-pyridin-4-ylethanone;N-(4-methoxyphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine;(4-methoxyphenyl)thiourea
CID 160587223
N-hydroxy-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]cyclohexa-2,4-diene-1-carboxamide
CID 89219953
ethyl 3-(pyridine-3-carbonylcarbamothioylamino)benzoate
CID 845490
3-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzoic acid
CID 59176893

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-imidazo[1,2-a]pyridin-3-ylethanone;ethanol;ethyl 3-(carbamothioylamino)benzoate;ethyl 3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoate;N-hydroxy-3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;2-hydroxy-1-[3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]ethanone?
The IUPAC name of 2-bromo-1-imidazo[1,2-a]pyridin-3-ylethanone;ethanol;ethyl 3-(carbamothioylamino)benzoate;ethyl 3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoate;N-hydroxy-3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;2-hydroxy-1-[3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]ethanone (CID 158933506) is 2-bromo-1-imidazo[1,2-a]pyridin-3-ylethanone;ethanol;ethyl 3-(carbamothioylamino)benzoate;ethyl 3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoate;N-hydroxy-3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;2-hydroxy-1-[3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]ethanone.
What is the SMILES notation for 2-bromo-1-imidazo[1,2-a]pyridin-3-ylethanone;ethanol;ethyl 3-(carbamothioylamino)benzoate;ethyl 3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoate;N-hydroxy-3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;2-hydroxy-1-[3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]ethanone?
The canonical SMILES for 2-bromo-1-imidazo[1,2-a]pyridin-3-ylethanone;ethanol;ethyl 3-(carbamothioylamino)benzoate;ethyl 3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoate;N-hydroxy-3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;2-hydroxy-1-[3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]ethanone is CCO.CCOC(=O)c1cccc(NC(N)=S)c1.CCOC(=O)c1cccc(Nc2nc(-c3cnc4ccccn34)cs2)c1.O=C(CBr)c1cnc2ccccn12.O=C(CO)c1cccc(Nc2nc(-c3cnc4ccccn34)cs2)c1.O=C(NO)c1cccc(Nc2nc(-c3cnc4ccccn34)cs2)c1.
What is the InChIKey of 2-bromo-1-imidazo[1,2-a]pyridin-3-ylethanone;ethanol;ethyl 3-(carbamothioylamino)benzoate;ethyl 3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoate;N-hydroxy-3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;2-hydroxy-1-[3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]ethanone?
The InChIKey is JJJAUBRQBUGBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S.C18H14N4O2S.C17H13N5O2S.C10H12N2O2S.C9H7BrN2O.C2H6O/c1-2-25-18(24)13-6-5-7-14(10-13)21-19-22-15(12-26-19)16-11-20-17-8-3-4-9-23(16)17;23-10-16(24)12-4-3-5-13(8-12)20-18-21-14(11-25-18)15-9-19-17-6-1-2-7-22(15)17;23-16(21-24)11-4-3-5-12(8-11)19-17-20-13(10-25-17)14-9-18-15-6-1-2-7-22(14)15;1-2-14-9(13)7-4-3-5-8(6-7)12-10(11)15;10-5-8(13)7-6-11-9-3-1-2-4-12(7)9;1-2-3/h3-12H,2H2,1H3,(H,21,22);1-9,11,23H,10H2,(H,20,21);1-10,24H,(H,19,20)(H,21,23);3-6H,2H2,1H3,(H3,11,12,15);1-4,6H,5H2;3H,2H2,1H3.
What are the key properties of 2-bromo-1-imidazo[1,2-a]pyridin-3-ylethanone;ethanol;ethyl 3-(carbamothioylamino)benzoate;ethyl 3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoate;N-hydroxy-3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;2-hydroxy-1-[3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]ethanone?
2-bromo-1-imidazo[1,2-a]pyridin-3-ylethanone;ethanol;ethyl 3-(carbamothioylamino)benzoate;ethyl 3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoate;N-hydroxy-3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;2-hydroxy-1-[3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]ethanone has a molecular weight of 1575.65 g/mol, XLogP of 14.50, 19 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-imidazo[1,2-a]pyridin-3-ylethanone;ethanol;ethyl 3-(carbamothioylamino)benzoate;ethyl 3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoate;N-hydroxy-3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;2-hydroxy-1-[3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]ethanone is sourced from PubChem (CID 158933506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).