1-(5-bromo-2-chloro-3-pyridinyl)ethanone;5-bromo-3-methylthieno[2,3-b]pyridine;5-bromo-N-(oxan-4-yl)thieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;5-bromo-3-(tribromomethyl)thieno[2,3-b]pyridine;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)thieno[2,3-b]pyridine-3-carboxamide;dodeca-2,4,6,8,10-pentayne;dodeca-2,4,6,8,10-pentayne;dodeca-2,4,6,8,10-pentayne;methane;methyl 2-sulfanylacetate;oxan-4-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide

C132H118BBr8ClN13O14S8-3 — CID 165090226

IUPAC1-(5-bromo-2-chloro-3-pyridinyl)ethanone;5-bromo-3-methylthieno[2,3-b]pyridine;5-bromo-N-(oxan-4-yl)thieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;5-bromo-3-(tribromomethyl)thieno[2,3-b]pyridine;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)thieno[2,3-b]pyridine-3-carboxamide;dodeca-2,4,6,8,10-pentayne;dodeca-2,4,6,8,10-pentayne;dodeca-2,4,6,8,10-pentayne;methane;methyl 2-sulfanylacetate;oxan-4-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
SMILESBrc1cnc2scc(C(Br)(Br)Br)c2c1.C.C.C.CC#CC#CC#CC#CC#CC.CC(=O)c1cc(Br)cnc1Cl.CC1(C)OB(c2ccc3nc(NC(=O)C4CC4)sc3c2)OC1(C)C.COC(=O)CS.Cc1csc2ncc(Br)cc12.NC1CCOCC1.O=C(NC1CCOCC1)c1csc2ncc(-c3ccc4nc(NC(=O)C5CC5)sc4c3)cc12.O=C(NC1CCOCC1)c1csc2ncc(Br)cc12.O=C(O)c1csc2ncc(Br)cc12.[CH2-]C#CC#CC#CC#CC#CC.[CH2-]C#CC#CC#CC#CC#C[CH2-]
InChIInChI=1S/C24H22N4O3S2.C17H21BN2O3S.C13H13BrN2O2S.C12H6.C12H5.C12H4.C8H3Br4NS.C8H4BrNO2S.C8H6BrNS.C7H5BrClNO.C5H11NO.C3H6O2S.3CH4/c29-21(13-1-2-13)28-24-27-19-4-3-14(10-20(19)33-24)15-9-17-18(12-32-23(17)25-11-15)22(30)26-16-5-7-31-8-6-16;1-16(2)17(3,4)23-18(22-16)11-7-8-12-13(9-11)24-15(19-12)20-14(21)10-5-6-10;14-8-5-10-11(7-19-13(10)15-6-8)12(17)16-9-1-3-18-4-2-9;3*1-3-5-7-9-11-12-10-8-6-4-2;9-4-1-5-6(8(10,11)12)3-14-7(5)13-2-4;9-4-1-5-6(8(11)12)3-13-7(5)10-2-4;1-5-4-11-8-7(5)2-6(9)3-10-8;1-4(11)6-2-5(8)3-10-7(6)9;6-5-1-3-7-4-2-5;1-5-3(4)2-6;;;/h3-4,9-13,16H,1-2,5-8H2,(H,26,30)(H,27,28,29);7-10H,5-6H2,1-4H3,(H,19,20,21);5-7,9H,1-4H2,(H,16,17);1-2H3;1H2,2H3;1-2H2;1-3H;1-3H,(H,11,12);2-4H,1H3;2-3H,1H3;5H,1-4,6H2;6H,2H2,1H3;3*1H4/q;;;;-1;-2;;;;;;;;;
InChIKeyWOMAUOTWUGFPOS-UHFFFAOYSA-N
MW3052.51 g/mol
LogP29.61
Rot. Bonds13

About 1-(5-bromo-2-chloro-3-pyridinyl)ethanone;5-bromo-3-methylthieno[2,3-b]pyridine;5-bromo-N-(oxan-4-yl)thieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;5-bromo-3-(tribromomethyl)thieno[2,3-b]pyridine;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)thieno[2,3-b]pyridine-3-carboxamide;dodeca-2,4,6,8,10-pentayne;dodeca-2,4,6,8,10-pentayne;dodeca-2,4,6,8,10-pentayne;methane;methyl 2-sulfanylacetate;oxan-4-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide

1-(5-bromo-2-chloro-3-pyridinyl)ethanone;5-bromo-3-methylthieno[2,3-b]pyridine;5-bromo-N-(oxan-4-yl)thieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;5-bromo-3-(tribromomethyl)thieno[2,3-b]pyridine;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)thieno[2,3-b]pyridine-3-carboxamide;dodeca-2,4,6,8,10-pentayne;dodeca-2,4,6,8,10-pentayne;dodeca-2,4,6,8,10-pentayne;methane;methyl 2-sulfanylacetate;oxan-4-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide (PubChem CID 165090226) has the molecular formula C132H118BBr8ClN13O14S8-3 and a molecular weight of 3052.51 g/mol. Its IUPAC name is 1-(5-bromo-2-chloro-3-pyridinyl)ethanone;5-bromo-3-methylthieno[2,3-b]pyridine;5-bromo-N-(oxan-4-yl)thieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;5-bromo-3-(tribromomethyl)thieno[2,3-b]pyridine;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)thieno[2,3-b]pyridine-3-carboxamide;dodeca-2,4,6,8,10-pentayne;dodeca-2,4,6,8,10-pentayne;dodeca-2,4,6,8,10-pentayne;methane;methyl 2-sulfanylacetate;oxan-4-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound Name1-(5-bromo-2-chloro-3-pyridinyl)ethanone;5-bromo-3-methylthieno[2,3-b]pyridine;5-bromo-N-(oxan-4-yl)thieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;5-bromo-3-(tribromomethyl)thieno[2,3-b]pyridine;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)thieno[2,3-b]pyridine-3-carboxamide;dodeca-2,4,6,8,10-pentayne;dodeca-2,4,6,8,10-pentayne;dodeca-2,4,6,8,10-pentayne;methane;methyl 2-sulfanylacetate;oxan-4-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
PubChem CID165090226
Molecular FormulaC132H118BBr8ClN13O14S8-3
Molecular Weight3052.51 g/mol
Exact Mass3042.00
IUPAC Name1-(5-bromo-2-chloro-3-pyridinyl)ethanone;5-bromo-3-methylthieno[2,3-b]pyridine;5-bromo-N-(oxan-4-yl)thieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;5-bromo-3-(tribromomethyl)thieno[2,3-b]pyridine;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)thieno[2,3-b]pyridine-3-carboxamide;dodeca-2,4,6,8,10-pentayne;dodeca-2,4,6,8,10-pentayne;dodeca-2,4,6,8,10-pentayne;methane;methyl 2-sulfanylacetate;oxan-4-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
SMILESBrc1cnc2scc(C(Br)(Br)Br)c2c1.C.C.C.CC#CC#CC#CC#CC#CC.CC(=O)c1cc(Br)cnc1Cl.CC1(C)OB(c2ccc3nc(NC(=O)C4CC4)sc3c2)OC1(C)C.COC(=O)CS.Cc1csc2ncc(Br)cc12.NC1CCOCC1.O=C(NC1CCOCC1)c1csc2ncc(-c3ccc4nc(NC(=O)C5CC5)sc4c3)cc12.O=C(NC1CCOCC1)c1csc2ncc(Br)cc12.O=C(O)c1csc2ncc(Br)cc12.[CH2-]C#CC#CC#CC#CC#CC.[CH2-]C#CC#CC#CC#CC#C[CH2-]
InChIInChI=1S/C24H22N4O3S2.C17H21BN2O3S.C13H13BrN2O2S.C12H6.C12H5.C12H4.C8H3Br4NS.C8H4BrNO2S.C8H6BrNS.C7H5BrClNO.C5H11NO.C3H6O2S.3CH4/c29-21(13-1-2-13)28-24-27-19-4-3-14(10-20(19)33-24)15-9-17-18(12-32-23(17)25-11-15)22(30)26-16-5-7-31-8-6-16;1-16(2)17(3,4)23-18(22-16)11-7-8-12-13(9-11)24-15(19-12)20-14(21)10-5-6-10;14-8-5-10-11(7-19-13(10)15-6-8)12(17)16-9-1-3-18-4-2-9;3*1-3-5-7-9-11-12-10-8-6-4-2;9-4-1-5-6(8(10,11)12)3-14-7(5)13-2-4;9-4-1-5-6(8(11)12)3-13-7(5)10-2-4;1-5-4-11-8-7(5)2-6(9)3-10-8;1-4(11)6-2-5(8)3-10-7(6)9;6-5-1-3-7-4-2-5;1-5-3(4)2-6;;;/h3-4,9-13,16H,1-2,5-8H2,(H,26,30)(H,27,28,29);7-10H,5-6H2,1-4H3,(H,19,20,21);5-7,9H,1-4H2,(H,16,17);1-2H3;1H2,2H3;1-2H2;1-3H;1-3H,(H,11,12);2-4H,1H3;2-3H,1H3;5H,1-4,6H2;6H,2H2,1H3;3*1H4/q;;;;-1;-2;;;;;;;;;
InChIKeyWOMAUOTWUGFPOS-UHFFFAOYSA-N
XLogP29.61
TPSA372.36 Ų
H-Bond Donors7
H-Bond Acceptors30
Rotatable Bonds13
Heavy Atoms177
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003052.51
LogP ≤ 529.61
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-(5-bromo-2-chloro-3-pyridinyl)ethanone;5-bromo-3-methylthieno[2,3-b]pyridine;5-bromo-N-(oxan-4-yl)thieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;5-bromo-3-(tribromomethyl)thieno[2,3-b]pyridine;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)thieno[2,3-b]pyridine-3-carboxamide;dodeca-2,4,6,8,10-pentayne;dodeca-2,4,6,8,10-pentayne;dodeca-2,4,6,8,10-pentayne;methane;methyl 2-sulfanylacetate;oxan-4-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide with MolForge

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Related Compounds

5-bromo-N-(4,4-difluorocyclohexyl)thieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(4,4-difluorocyclohexyl)thieno[2,3-b]pyridine-3-carboxamide;4,4-difluorocyclohexan-1-amine;octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
CID 164993273
5-bromo-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;cyclohexanamine;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxamide;octadeca-1,3,5,7,9,11,13,15,17-nonayne;octadeca-1,3,5,7,9,11,13,15,17-nonayne;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
CID 164951811
5-bromo-N-pentan-3-ylthieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-ylthieno[2,3-b]pyridine-3-carboxamide;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;pentan-3-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
CID 164961331
5-bromo-N-(1-methylpiperidin-3-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(1-methylpiperidin-3-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;1-methylpiperidin-3-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide;tritetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne;tritetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne
CID 165047722
5-bromo-N-(1-methylpiperidin-4-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(1-methylpiperidin-4-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;dotetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne;dotetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne;1-methylpiperidin-4-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
CID 165049914

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chloro-3-pyridinyl)ethanone;5-bromo-3-methylthieno[2,3-b]pyridine;5-bromo-N-(oxan-4-yl)thieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;5-bromo-3-(tribromomethyl)thieno[2,3-b]pyridine;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)thieno[2,3-b]pyridine-3-carboxamide;dodeca-2,4,6,8,10-pentayne;dodeca-2,4,6,8,10-pentayne;dodeca-2,4,6,8,10-pentayne;methane;methyl 2-sulfanylacetate;oxan-4-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of 1-(5-bromo-2-chloro-3-pyridinyl)ethanone;5-bromo-3-methylthieno[2,3-b]pyridine;5-bromo-N-(oxan-4-yl)thieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;5-bromo-3-(tribromomethyl)thieno[2,3-b]pyridine;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)thieno[2,3-b]pyridine-3-carboxamide;dodeca-2,4,6,8,10-pentayne;dodeca-2,4,6,8,10-pentayne;dodeca-2,4,6,8,10-pentayne;methane;methyl 2-sulfanylacetate;oxan-4-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide (CID 165090226) is 1-(5-bromo-2-chloro-3-pyridinyl)ethanone;5-bromo-3-methylthieno[2,3-b]pyridine;5-bromo-N-(oxan-4-yl)thieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;5-bromo-3-(tribromomethyl)thieno[2,3-b]pyridine;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)thieno[2,3-b]pyridine-3-carboxamide;dodeca-2,4,6,8,10-pentayne;dodeca-2,4,6,8,10-pentayne;dodeca-2,4,6,8,10-pentayne;methane;methyl 2-sulfanylacetate;oxan-4-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for 1-(5-bromo-2-chloro-3-pyridinyl)ethanone;5-bromo-3-methylthieno[2,3-b]pyridine;5-bromo-N-(oxan-4-yl)thieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;5-bromo-3-(tribromomethyl)thieno[2,3-b]pyridine;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)thieno[2,3-b]pyridine-3-carboxamide;dodeca-2,4,6,8,10-pentayne;dodeca-2,4,6,8,10-pentayne;dodeca-2,4,6,8,10-pentayne;methane;methyl 2-sulfanylacetate;oxan-4-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for 1-(5-bromo-2-chloro-3-pyridinyl)ethanone;5-bromo-3-methylthieno[2,3-b]pyridine;5-bromo-N-(oxan-4-yl)thieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;5-bromo-3-(tribromomethyl)thieno[2,3-b]pyridine;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)thieno[2,3-b]pyridine-3-carboxamide;dodeca-2,4,6,8,10-pentayne;dodeca-2,4,6,8,10-pentayne;dodeca-2,4,6,8,10-pentayne;methane;methyl 2-sulfanylacetate;oxan-4-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide is Brc1cnc2scc(C(Br)(Br)Br)c2c1.C.C.C.CC#CC#CC#CC#CC#CC.CC(=O)c1cc(Br)cnc1Cl.CC1(C)OB(c2ccc3nc(NC(=O)C4CC4)sc3c2)OC1(C)C.COC(=O)CS.Cc1csc2ncc(Br)cc12.NC1CCOCC1.O=C(NC1CCOCC1)c1csc2ncc(-c3ccc4nc(NC(=O)C5CC5)sc4c3)cc12.O=C(NC1CCOCC1)c1csc2ncc(Br)cc12.O=C(O)c1csc2ncc(Br)cc12.[CH2-]C#CC#CC#CC#CC#CC.[CH2-]C#CC#CC#CC#CC#C[CH2-].
What is the InChIKey of 1-(5-bromo-2-chloro-3-pyridinyl)ethanone;5-bromo-3-methylthieno[2,3-b]pyridine;5-bromo-N-(oxan-4-yl)thieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;5-bromo-3-(tribromomethyl)thieno[2,3-b]pyridine;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)thieno[2,3-b]pyridine-3-carboxamide;dodeca-2,4,6,8,10-pentayne;dodeca-2,4,6,8,10-pentayne;dodeca-2,4,6,8,10-pentayne;methane;methyl 2-sulfanylacetate;oxan-4-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is WOMAUOTWUGFPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S2.C17H21BN2O3S.C13H13BrN2O2S.C12H6.C12H5.C12H4.C8H3Br4NS.C8H4BrNO2S.C8H6BrNS.C7H5BrClNO.C5H11NO.C3H6O2S.3CH4/c29-21(13-1-2-13)28-24-27-19-4-3-14(10-20(19)33-24)15-9-17-18(12-32-23(17)25-11-15)22(30)26-16-5-7-31-8-6-16;1-16(2)17(3,4)23-18(22-16)11-7-8-12-13(9-11)24-15(19-12)20-14(21)10-5-6-10;14-8-5-10-11(7-19-13(10)15-6-8)12(17)16-9-1-3-18-4-2-9;3*1-3-5-7-9-11-12-10-8-6-4-2;9-4-1-5-6(8(10,11)12)3-14-7(5)13-2-4;9-4-1-5-6(8(11)12)3-13-7(5)10-2-4;1-5-4-11-8-7(5)2-6(9)3-10-8;1-4(11)6-2-5(8)3-10-7(6)9;6-5-1-3-7-4-2-5;1-5-3(4)2-6;;;/h3-4,9-13,16H,1-2,5-8H2,(H,26,30)(H,27,28,29);7-10H,5-6H2,1-4H3,(H,19,20,21);5-7,9H,1-4H2,(H,16,17);1-2H3;1H2,2H3;1-2H2;1-3H;1-3H,(H,11,12);2-4H,1H3;2-3H,1H3;5H,1-4,6H2;6H,2H2,1H3;3*1H4/q;;;;-1;-2;;;;;;;;;.
What are the key properties of 1-(5-bromo-2-chloro-3-pyridinyl)ethanone;5-bromo-3-methylthieno[2,3-b]pyridine;5-bromo-N-(oxan-4-yl)thieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;5-bromo-3-(tribromomethyl)thieno[2,3-b]pyridine;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)thieno[2,3-b]pyridine-3-carboxamide;dodeca-2,4,6,8,10-pentayne;dodeca-2,4,6,8,10-pentayne;dodeca-2,4,6,8,10-pentayne;methane;methyl 2-sulfanylacetate;oxan-4-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide?
1-(5-bromo-2-chloro-3-pyridinyl)ethanone;5-bromo-3-methylthieno[2,3-b]pyridine;5-bromo-N-(oxan-4-yl)thieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;5-bromo-3-(tribromomethyl)thieno[2,3-b]pyridine;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)thieno[2,3-b]pyridine-3-carboxamide;dodeca-2,4,6,8,10-pentayne;dodeca-2,4,6,8,10-pentayne;dodeca-2,4,6,8,10-pentayne;methane;methyl 2-sulfanylacetate;oxan-4-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 3052.51 g/mol, XLogP of 29.61, 13 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chloro-3-pyridinyl)ethanone;5-bromo-3-methylthieno[2,3-b]pyridine;5-bromo-N-(oxan-4-yl)thieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;5-bromo-3-(tribromomethyl)thieno[2,3-b]pyridine;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)thieno[2,3-b]pyridine-3-carboxamide;dodeca-2,4,6,8,10-pentayne;dodeca-2,4,6,8,10-pentayne;dodeca-2,4,6,8,10-pentayne;methane;methyl 2-sulfanylacetate;oxan-4-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 165090226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).