5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;6-bromo-1,3-benzothiazol-2-amine;3-[(4-fluorophenyl)methyl]piperidine;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;methyl 5-bromo-2-methoxypyridine-3-carboxylate;methyl thiohypofluorite;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C160H172B3Br2F5N24O21S8 — CID 164974752

IUPAC5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;6-bromo-1,3-benzothiazol-2-amine;3-[(4-fluorophenyl)methyl]piperidine;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;methyl 5-bromo-2-methoxypyridine-3-carboxylate;methyl thiohypofluorite;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3nc(N)sc3c2)OC1(C)C.COC(=O)c1cc(-c2ccc3nc(N)sc3c2)cnc1OC.COC(=O)c1cc(Br)cnc1OC.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)N1CCCC(Cc2ccc(F)cc2)C1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)N1CCC[C@@H](Cc2ccc(F)cc2)C1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)N1CCC[C@H](Cc2ccc(F)cc2)C1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)O.CSF.Fc1ccc(CC2CCCNC2)cc1.Nc1nc2ccc(Br)cc2s1
InChIInChI=1S/3C26H25FN4O2S.C15H13N3O3S.C14H11N3O3S.C13H17BN2O2S.C12H24B2O4.C12H16FN.C8H8BrNO3.C7H5BrN2S.CH3FS/c3*1-33-24-21(12-19(14-29-24)18-6-9-22-23(13-18)34-26(28)30-22)25(32)31-10-2-3-17(15-31)11-16-4-7-20(27)8-5-16;1-20-13-10(14(19)21-2)5-9(7-17-13)8-3-4-11-12(6-8)22-15(16)18-11;1-20-12-9(13(18)19)4-8(6-16-12)7-2-3-10-11(5-7)21-14(15)17-10;1-12(2)13(3,4)18-14(17-12)8-5-6-9-10(7-8)19-11(15)16-9;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-12-5-3-10(4-6-12)8-11-2-1-7-14-9-11;1-12-7-6(8(11)13-2)3-5(9)4-10-7;8-4-1-2-5-6(3-4)11-7(9)10-5;1-3-2/h3*4-9,12-14,17H,2-3,10-11,15H2,1H3,(H2,28,30);3-7H,1-2H3,(H2,16,18);2-6H,1H3,(H2,15,17)(H,18,19);5-7H,1-4H3,(H2,15,16);1-8H3;3-6,11,14H,1-2,7-9H2;3-4H,1-2H3;1-3H,(H2,9,10);1H3/t2*17-;;;;;;;;;/m10........./s1
InChIKeyDPSFVRWKCDRQOJ-FETFDZDUSA-N
MW3311.05 g/mol
LogP33.24
Rot. Bonds27

About 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;6-bromo-1,3-benzothiazol-2-amine;3-[(4-fluorophenyl)methyl]piperidine;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;methyl 5-bromo-2-methoxypyridine-3-carboxylate;methyl thiohypofluorite;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;6-bromo-1,3-benzothiazol-2-amine;3-[(4-fluorophenyl)methyl]piperidine;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;methyl 5-bromo-2-methoxypyridine-3-carboxylate;methyl thiohypofluorite;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 164974752) has the molecular formula C160H172B3Br2F5N24O21S8 and a molecular weight of 3311.05 g/mol. Its IUPAC name is 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;6-bromo-1,3-benzothiazol-2-amine;3-[(4-fluorophenyl)methyl]piperidine;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;methyl 5-bromo-2-methoxypyridine-3-carboxylate;methyl thiohypofluorite;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;6-bromo-1,3-benzothiazol-2-amine;3-[(4-fluorophenyl)methyl]piperidine;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;methyl 5-bromo-2-methoxypyridine-3-carboxylate;methyl thiohypofluorite;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
PubChem CID164974752
Molecular FormulaC160H172B3Br2F5N24O21S8
Molecular Weight3311.05 g/mol
Exact Mass3306.95
IUPAC Name5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;6-bromo-1,3-benzothiazol-2-amine;3-[(4-fluorophenyl)methyl]piperidine;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;methyl 5-bromo-2-methoxypyridine-3-carboxylate;methyl thiohypofluorite;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3nc(N)sc3c2)OC1(C)C.COC(=O)c1cc(-c2ccc3nc(N)sc3c2)cnc1OC.COC(=O)c1cc(Br)cnc1OC.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)N1CCCC(Cc2ccc(F)cc2)C1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)N1CCC[C@@H](Cc2ccc(F)cc2)C1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)N1CCC[C@H](Cc2ccc(F)cc2)C1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)O.CSF.Fc1ccc(CC2CCCNC2)cc1.Nc1nc2ccc(Br)cc2s1
InChIInChI=1S/3C26H25FN4O2S.C15H13N3O3S.C14H11N3O3S.C13H17BN2O2S.C12H24B2O4.C12H16FN.C8H8BrNO3.C7H5BrN2S.CH3FS/c3*1-33-24-21(12-19(14-29-24)18-6-9-22-23(13-18)34-26(28)30-22)25(32)31-10-2-3-17(15-31)11-16-4-7-20(27)8-5-16;1-20-13-10(14(19)21-2)5-9(7-17-13)8-3-4-11-12(6-8)22-15(16)18-11;1-20-12-9(13(18)19)4-8(6-16-12)7-2-3-10-11(5-7)21-14(15)17-10;1-12(2)13(3,4)18-14(17-12)8-5-6-9-10(7-8)19-11(15)16-9;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-12-5-3-10(4-6-12)8-11-2-1-7-14-9-11;1-12-7-6(8(11)13-2)3-5(9)4-10-7;8-4-1-2-5-6(3-4)11-7(9)10-5;1-3-2/h3*4-9,12-14,17H,2-3,10-11,15H2,1H3,(H2,28,30);3-7H,1-2H3,(H2,16,18);2-6H,1H3,(H2,15,17)(H,18,19);5-7H,1-4H3,(H2,15,16);1-8H3;3-6,11,14H,1-2,7-9H2;3-4H,1-2H3;1-3H,(H2,9,10);1H3/t2*17-;;;;;;;;;/m10........./s1
InChIKeyDPSFVRWKCDRQOJ-FETFDZDUSA-N
XLogP33.24
TPSA623.33 Ų
H-Bond Donors9
H-Bond Acceptors49
Rotatable Bonds27
Heavy Atoms223
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003311.05
LogP ≤ 533.24
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;6-bromo-1,3-benzothiazol-2-amine;3-[(4-fluorophenyl)methyl]piperidine;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;methyl 5-bromo-2-methoxypyridine-3-carboxylate;methyl thiohypofluorite;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;6-bromo-1,3-benzothiazol-2-amine;3-[(4-fluorophenyl)methyl]piperidine;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;methyl 5-bromo-2-methoxypyridine-3-carboxylate;methyl thiohypofluorite;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;6-bromo-1,3-benzothiazol-2-amine;3-[(4-fluorophenyl)methyl]piperidine;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;methyl 5-bromo-2-methoxypyridine-3-carboxylate;methyl thiohypofluorite;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 164974752) is 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;6-bromo-1,3-benzothiazol-2-amine;3-[(4-fluorophenyl)methyl]piperidine;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;methyl 5-bromo-2-methoxypyridine-3-carboxylate;methyl thiohypofluorite;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;6-bromo-1,3-benzothiazol-2-amine;3-[(4-fluorophenyl)methyl]piperidine;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;methyl 5-bromo-2-methoxypyridine-3-carboxylate;methyl thiohypofluorite;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;6-bromo-1,3-benzothiazol-2-amine;3-[(4-fluorophenyl)methyl]piperidine;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;methyl 5-bromo-2-methoxypyridine-3-carboxylate;methyl thiohypofluorite;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3nc(N)sc3c2)OC1(C)C.COC(=O)c1cc(-c2ccc3nc(N)sc3c2)cnc1OC.COC(=O)c1cc(Br)cnc1OC.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)N1CCCC(Cc2ccc(F)cc2)C1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)N1CCC[C@@H](Cc2ccc(F)cc2)C1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)N1CCC[C@H](Cc2ccc(F)cc2)C1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)O.CSF.Fc1ccc(CC2CCCNC2)cc1.Nc1nc2ccc(Br)cc2s1.
What is the InChIKey of 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;6-bromo-1,3-benzothiazol-2-amine;3-[(4-fluorophenyl)methyl]piperidine;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;methyl 5-bromo-2-methoxypyridine-3-carboxylate;methyl thiohypofluorite;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is DPSFVRWKCDRQOJ-FETFDZDUSA-N. The full InChI is InChI=1S/3C26H25FN4O2S.C15H13N3O3S.C14H11N3O3S.C13H17BN2O2S.C12H24B2O4.C12H16FN.C8H8BrNO3.C7H5BrN2S.CH3FS/c3*1-33-24-21(12-19(14-29-24)18-6-9-22-23(13-18)34-26(28)30-22)25(32)31-10-2-3-17(15-31)11-16-4-7-20(27)8-5-16;1-20-13-10(14(19)21-2)5-9(7-17-13)8-3-4-11-12(6-8)22-15(16)18-11;1-20-12-9(13(18)19)4-8(6-16-12)7-2-3-10-11(5-7)21-14(15)17-10;1-12(2)13(3,4)18-14(17-12)8-5-6-9-10(7-8)19-11(15)16-9;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-12-5-3-10(4-6-12)8-11-2-1-7-14-9-11;1-12-7-6(8(11)13-2)3-5(9)4-10-7;8-4-1-2-5-6(3-4)11-7(9)10-5;1-3-2/h3*4-9,12-14,17H,2-3,10-11,15H2,1H3,(H2,28,30);3-7H,1-2H3,(H2,16,18);2-6H,1H3,(H2,15,17)(H,18,19);5-7H,1-4H3,(H2,15,16);1-8H3;3-6,11,14H,1-2,7-9H2;3-4H,1-2H3;1-3H,(H2,9,10);1H3/t2*17-;;;;;;;;;/m10........./s1.
What are the key properties of 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;6-bromo-1,3-benzothiazol-2-amine;3-[(4-fluorophenyl)methyl]piperidine;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;methyl 5-bromo-2-methoxypyridine-3-carboxylate;methyl thiohypofluorite;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;6-bromo-1,3-benzothiazol-2-amine;3-[(4-fluorophenyl)methyl]piperidine;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;methyl 5-bromo-2-methoxypyridine-3-carboxylate;methyl thiohypofluorite;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 3311.05 g/mol, XLogP of 33.24, 27 rotatable bonds, 9 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;6-bromo-1,3-benzothiazol-2-amine;3-[(4-fluorophenyl)methyl]piperidine;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;methyl 5-bromo-2-methoxypyridine-3-carboxylate;methyl thiohypofluorite;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 164974752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).