potassium;5-(bromomethyl)-2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;[2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazol-5-yl]methanol;2,6-dichloro-3-nitropyridine;ethyl 2-amino-1,3-thiazole-5-carboxylate;ethyl 2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole-5-carboxylate;ethyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]-1,3-thiazole-5-carboxylate;2-methylpropan-2-olate

C61H56BrCl6KN20O12S5 — CID 163566683

IUPACpotassium;5-(bromomethyl)-2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;[2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazol-5-yl]methanol;2,6-dichloro-3-nitropyridine;ethyl 2-amino-1,3-thiazole-5-carboxylate;ethyl 2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole-5-carboxylate;ethyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]-1,3-thiazole-5-carboxylate;2-methylpropan-2-olate
SMILESCC(C)(C)[O-].CCOC(=O)c1cnc(-n2c(C)nc3ccc(Cl)nc32)s1.CCOC(=O)c1cnc(N)s1.CCOC(=O)c1cnc(Nc2nc(Cl)ccc2[N+](=O)[O-])s1.Cc1nc2ccc(Cl)nc2n1-c1ncc(CBr)s1.Cc1nc2ccc(Cl)nc2n1-c1ncc(CO)s1.O=[N+]([O-])c1ccc(Cl)nc1Cl.[K+]
InChIInChI=1S/C13H11ClN4O2S.C11H8BrClN4S.C11H9ClN4O4S.C11H9ClN4OS.C6H8N2O2S.C5H2Cl2N2O2.C4H9O.K/c1-3-20-12(19)9-6-15-13(21-9)18-7(2)16-8-4-5-10(14)17-11(8)18;1-6-15-8-2-3-9(13)16-10(8)17(6)11-14-5-7(4-12)18-11;1-2-20-10(17)7-5-13-11(21-7)15-9-6(16(18)19)3-4-8(12)14-9;1-6-14-8-2-3-9(12)15-10(8)16(6)11-13-4-7(5-17)18-11;1-2-10-5(9)4-3-8-6(7)11-4;6-4-2-1-3(9(10)11)5(7)8-4;1-4(2,3)5;/h4-6H,3H2,1-2H3;2-3,5H,4H2,1H3;3-5H,2H2,1H3,(H,13,14,15);2-4,17H,5H2,1H3;3H,2H2,1H3,(H2,7,8);1-2H;1-3H3;/q;;;;;;-1;+1
InChIKeyFVUXOAJKRFHJAT-UHFFFAOYSA-N
MW1753.30 g/mol
LogP12.45
Rot. Bonds15

About potassium;5-(bromomethyl)-2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;[2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazol-5-yl]methanol;2,6-dichloro-3-nitropyridine;ethyl 2-amino-1,3-thiazole-5-carboxylate;ethyl 2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole-5-carboxylate;ethyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]-1,3-thiazole-5-carboxylate;2-methylpropan-2-olate

potassium;5-(bromomethyl)-2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;[2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazol-5-yl]methanol;2,6-dichloro-3-nitropyridine;ethyl 2-amino-1,3-thiazole-5-carboxylate;ethyl 2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole-5-carboxylate;ethyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]-1,3-thiazole-5-carboxylate;2-methylpropan-2-olate (PubChem CID 163566683) has the molecular formula C61H56BrCl6KN20O12S5 and a molecular weight of 1753.30 g/mol. Its IUPAC name is potassium;5-(bromomethyl)-2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;[2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazol-5-yl]methanol;2,6-dichloro-3-nitropyridine;ethyl 2-amino-1,3-thiazole-5-carboxylate;ethyl 2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole-5-carboxylate;ethyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]-1,3-thiazole-5-carboxylate;2-methylpropan-2-olate.

Molecular Properties

Compound Namepotassium;5-(bromomethyl)-2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;[2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazol-5-yl]methanol;2,6-dichloro-3-nitropyridine;ethyl 2-amino-1,3-thiazole-5-carboxylate;ethyl 2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole-5-carboxylate;ethyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]-1,3-thiazole-5-carboxylate;2-methylpropan-2-olate
PubChem CID163566683
Molecular FormulaC61H56BrCl6KN20O12S5
Molecular Weight1753.30 g/mol
Exact Mass1747.99
IUPAC Namepotassium;5-(bromomethyl)-2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;[2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazol-5-yl]methanol;2,6-dichloro-3-nitropyridine;ethyl 2-amino-1,3-thiazole-5-carboxylate;ethyl 2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole-5-carboxylate;ethyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]-1,3-thiazole-5-carboxylate;2-methylpropan-2-olate
SMILESCC(C)(C)[O-].CCOC(=O)c1cnc(-n2c(C)nc3ccc(Cl)nc32)s1.CCOC(=O)c1cnc(N)s1.CCOC(=O)c1cnc(Nc2nc(Cl)ccc2[N+](=O)[O-])s1.Cc1nc2ccc(Cl)nc2n1-c1ncc(CBr)s1.Cc1nc2ccc(Cl)nc2n1-c1ncc(CO)s1.O=[N+]([O-])c1ccc(Cl)nc1Cl.[K+]
InChIInChI=1S/C13H11ClN4O2S.C11H8BrClN4S.C11H9ClN4O4S.C11H9ClN4OS.C6H8N2O2S.C5H2Cl2N2O2.C4H9O.K/c1-3-20-12(19)9-6-15-13(21-9)18-7(2)16-8-4-5-10(14)17-11(8)18;1-6-15-8-2-3-9(13)16-10(8)17(6)11-14-5-7(4-12)18-11;1-2-20-10(17)7-5-13-11(21-7)15-9-6(16(18)19)3-4-8(12)14-9;1-6-14-8-2-3-9(12)15-10(8)16(6)11-13-4-7(5-17)18-11;1-2-10-5(9)4-3-8-6(7)11-4;6-4-2-1-3(9(10)11)5(7)8-4;1-4(2,3)5;/h4-6H,3H2,1-2H3;2-3,5H,4H2,1H3;3-5H,2H2,1H3,(H,13,14,15);2-4,17H,5H2,1H3;3H,2H2,1H3,(H2,7,8);1-2H;1-3H3;/q;;;;;;-1;+1
InChIKeyFVUXOAJKRFHJAT-UHFFFAOYSA-N
XLogP12.45
TPSA428.88 Ų
H-Bond Donors3
H-Bond Acceptors35
Rotatable Bonds15
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001753.30
LogP ≤ 512.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze potassium;5-(bromomethyl)-2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;[2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazol-5-yl]methanol;2,6-dichloro-3-nitropyridine;ethyl 2-amino-1,3-thiazole-5-carboxylate;ethyl 2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole-5-carboxylate;ethyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]-1,3-thiazole-5-carboxylate;2-methylpropan-2-olate with MolForge

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Frequently Asked Questions

What is the IUPAC name of potassium;5-(bromomethyl)-2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;[2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazol-5-yl]methanol;2,6-dichloro-3-nitropyridine;ethyl 2-amino-1,3-thiazole-5-carboxylate;ethyl 2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole-5-carboxylate;ethyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]-1,3-thiazole-5-carboxylate;2-methylpropan-2-olate?
The IUPAC name of potassium;5-(bromomethyl)-2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;[2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazol-5-yl]methanol;2,6-dichloro-3-nitropyridine;ethyl 2-amino-1,3-thiazole-5-carboxylate;ethyl 2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole-5-carboxylate;ethyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]-1,3-thiazole-5-carboxylate;2-methylpropan-2-olate (CID 163566683) is potassium;5-(bromomethyl)-2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;[2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazol-5-yl]methanol;2,6-dichloro-3-nitropyridine;ethyl 2-amino-1,3-thiazole-5-carboxylate;ethyl 2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole-5-carboxylate;ethyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]-1,3-thiazole-5-carboxylate;2-methylpropan-2-olate.
What is the SMILES notation for potassium;5-(bromomethyl)-2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;[2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazol-5-yl]methanol;2,6-dichloro-3-nitropyridine;ethyl 2-amino-1,3-thiazole-5-carboxylate;ethyl 2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole-5-carboxylate;ethyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]-1,3-thiazole-5-carboxylate;2-methylpropan-2-olate?
The canonical SMILES for potassium;5-(bromomethyl)-2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;[2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazol-5-yl]methanol;2,6-dichloro-3-nitropyridine;ethyl 2-amino-1,3-thiazole-5-carboxylate;ethyl 2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole-5-carboxylate;ethyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]-1,3-thiazole-5-carboxylate;2-methylpropan-2-olate is CC(C)(C)[O-].CCOC(=O)c1cnc(-n2c(C)nc3ccc(Cl)nc32)s1.CCOC(=O)c1cnc(N)s1.CCOC(=O)c1cnc(Nc2nc(Cl)ccc2[N+](=O)[O-])s1.Cc1nc2ccc(Cl)nc2n1-c1ncc(CBr)s1.Cc1nc2ccc(Cl)nc2n1-c1ncc(CO)s1.O=[N+]([O-])c1ccc(Cl)nc1Cl.[K+].
What is the InChIKey of potassium;5-(bromomethyl)-2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;[2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazol-5-yl]methanol;2,6-dichloro-3-nitropyridine;ethyl 2-amino-1,3-thiazole-5-carboxylate;ethyl 2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole-5-carboxylate;ethyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]-1,3-thiazole-5-carboxylate;2-methylpropan-2-olate?
The InChIKey is FVUXOAJKRFHJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O2S.C11H8BrClN4S.C11H9ClN4O4S.C11H9ClN4OS.C6H8N2O2S.C5H2Cl2N2O2.C4H9O.K/c1-3-20-12(19)9-6-15-13(21-9)18-7(2)16-8-4-5-10(14)17-11(8)18;1-6-15-8-2-3-9(13)16-10(8)17(6)11-14-5-7(4-12)18-11;1-2-20-10(17)7-5-13-11(21-7)15-9-6(16(18)19)3-4-8(12)14-9;1-6-14-8-2-3-9(12)15-10(8)16(6)11-13-4-7(5-17)18-11;1-2-10-5(9)4-3-8-6(7)11-4;6-4-2-1-3(9(10)11)5(7)8-4;1-4(2,3)5;/h4-6H,3H2,1-2H3;2-3,5H,4H2,1H3;3-5H,2H2,1H3,(H,13,14,15);2-4,17H,5H2,1H3;3H,2H2,1H3,(H2,7,8);1-2H;1-3H3;/q;;;;;;-1;+1.
What are the key properties of potassium;5-(bromomethyl)-2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;[2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazol-5-yl]methanol;2,6-dichloro-3-nitropyridine;ethyl 2-amino-1,3-thiazole-5-carboxylate;ethyl 2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole-5-carboxylate;ethyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]-1,3-thiazole-5-carboxylate;2-methylpropan-2-olate?
potassium;5-(bromomethyl)-2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;[2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazol-5-yl]methanol;2,6-dichloro-3-nitropyridine;ethyl 2-amino-1,3-thiazole-5-carboxylate;ethyl 2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole-5-carboxylate;ethyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]-1,3-thiazole-5-carboxylate;2-methylpropan-2-olate has a molecular weight of 1753.30 g/mol, XLogP of 12.45, 15 rotatable bonds, 3 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;5-(bromomethyl)-2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;[2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazol-5-yl]methanol;2,6-dichloro-3-nitropyridine;ethyl 2-amino-1,3-thiazole-5-carboxylate;ethyl 2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole-5-carboxylate;ethyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]-1,3-thiazole-5-carboxylate;2-methylpropan-2-olate is sourced from PubChem (CID 163566683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).