5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(3-morpholin-4-ylphenyl)methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(oxan-4-yloxy)phenyl]methyl]pyridin-3-amine;2-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenoxy]ethanol;6-[2-(4-fluoro-3-methylphenyl)-5-pyrazol-1-yl-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-5-[[4-(sulfinatoamino)phenyl]methylamino]-3-pyridinyl]-1,3-benzothiazole

C169H145F6N22O8S7- — CID 159734251

IUPAC5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(3-morpholin-4-ylphenyl)methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(oxan-4-yloxy)phenyl]methyl]pyridin-3-amine;2-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenoxy]ethanol;6-[2-(4-fluoro-3-methylphenyl)-5-pyrazol-1-yl-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-5-[[4-(sulfinatoamino)phenyl]methylamino]-3-pyridinyl]-1,3-benzothiazole
SMILESCc1cc(-c2ncc(-n3cccn3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3ccc(CN4CCOCC4)cc3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3ccc(NS(=O)[O-])cc3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3ccc(OC4CCOCC4)cc3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3ccc(OCCO)c(C)c3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3cccc(N4CCOCC4)c3)cc2-c2ccc3ncsc3c2)ccc1F
InChIInChI=1S/C31H29FN4OS.C31H28FN3O2S.C30H27FN4OS.C29H26FN3O2S.C26H21FN4O2S2.C22H15FN4S/c1-21-14-25(6-8-28(21)32)31-27(24-7-9-29-30(15-24)38-20-35-29)16-26(18-34-31)33-17-22-2-4-23(5-3-22)19-36-10-12-37-13-11-36;1-20-14-23(4-8-28(20)32)31-27(22-5-9-29-30(15-22)38-19-35-29)16-24(18-34-31)33-17-21-2-6-25(7-3-21)37-26-10-12-36-13-11-26;1-20-13-23(5-7-27(20)31)30-26(22-6-8-28-29(15-22)37-19-34-28)16-24(18-33-30)32-17-21-3-2-4-25(14-21)35-9-11-36-12-10-35;1-18-12-22(4-6-25(18)30)29-24(21-5-7-26-28(13-21)36-17-33-26)14-23(16-32-29)31-15-20-3-8-27(19(2)11-20)35-10-9-34;1-16-10-19(4-8-23(16)27)26-22(18-5-9-24-25(11-18)34-15-30-24)12-21(14-29-26)28-13-17-2-6-20(7-3-17)31-35(32)33;1-14-9-16(3-5-19(14)23)22-18(11-17(12-24-22)27-8-2-7-26-27)15-4-6-20-21(10-15)28-13-25-20/h2-9,14-16,18,20,33H,10-13,17,19H2,1H3;2-9,14-16,18-19,26,33H,10-13,17H2,1H3;2-8,13-16,18-19,32H,9-12,17H2,1H3;3-8,11-14,16-17,31,34H,9-10,15H2,1-2H3;2-12,14-15,28,31H,13H2,1H3,(H,32,33);2-13H,1H3/p-1
InChIKeyQRRRYQDKMYQSRK-UHFFFAOYSA-M
MW2950.62 g/mol
LogP40.20
Rot. Bonds38

About 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(3-morpholin-4-ylphenyl)methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(oxan-4-yloxy)phenyl]methyl]pyridin-3-amine;2-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenoxy]ethanol;6-[2-(4-fluoro-3-methylphenyl)-5-pyrazol-1-yl-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-5-[[4-(sulfinatoamino)phenyl]methylamino]-3-pyridinyl]-1,3-benzothiazole

5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(3-morpholin-4-ylphenyl)methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(oxan-4-yloxy)phenyl]methyl]pyridin-3-amine;2-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenoxy]ethanol;6-[2-(4-fluoro-3-methylphenyl)-5-pyrazol-1-yl-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-5-[[4-(sulfinatoamino)phenyl]methylamino]-3-pyridinyl]-1,3-benzothiazole (PubChem CID 159734251) has the molecular formula C169H145F6N22O8S7- and a molecular weight of 2950.62 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(3-morpholin-4-ylphenyl)methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(oxan-4-yloxy)phenyl]methyl]pyridin-3-amine;2-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenoxy]ethanol;6-[2-(4-fluoro-3-methylphenyl)-5-pyrazol-1-yl-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-5-[[4-(sulfinatoamino)phenyl]methylamino]-3-pyridinyl]-1,3-benzothiazole.

Molecular Properties

Compound Name5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(3-morpholin-4-ylphenyl)methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(oxan-4-yloxy)phenyl]methyl]pyridin-3-amine;2-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenoxy]ethanol;6-[2-(4-fluoro-3-methylphenyl)-5-pyrazol-1-yl-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-5-[[4-(sulfinatoamino)phenyl]methylamino]-3-pyridinyl]-1,3-benzothiazole
PubChem CID159734251
Molecular FormulaC169H145F6N22O8S7-
Molecular Weight2950.62 g/mol
Exact Mass2947.96
IUPAC Name5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(3-morpholin-4-ylphenyl)methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(oxan-4-yloxy)phenyl]methyl]pyridin-3-amine;2-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenoxy]ethanol;6-[2-(4-fluoro-3-methylphenyl)-5-pyrazol-1-yl-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-5-[[4-(sulfinatoamino)phenyl]methylamino]-3-pyridinyl]-1,3-benzothiazole
SMILESCc1cc(-c2ncc(-n3cccn3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3ccc(CN4CCOCC4)cc3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3ccc(NS(=O)[O-])cc3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3ccc(OC4CCOCC4)cc3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3ccc(OCCO)c(C)c3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3cccc(N4CCOCC4)c3)cc2-c2ccc3ncsc3c2)ccc1F
InChIInChI=1S/C31H29FN4OS.C31H28FN3O2S.C30H27FN4OS.C29H26FN3O2S.C26H21FN4O2S2.C22H15FN4S/c1-21-14-25(6-8-28(21)32)31-27(24-7-9-29-30(15-24)38-20-35-29)16-26(18-34-31)33-17-22-2-4-23(5-3-22)19-36-10-12-37-13-11-36;1-20-14-23(4-8-28(20)32)31-27(22-5-9-29-30(15-22)38-19-35-29)16-24(18-34-31)33-17-21-2-6-25(7-3-21)37-26-10-12-36-13-11-26;1-20-13-23(5-7-27(20)31)30-26(22-6-8-28-29(15-22)37-19-34-28)16-24(18-33-30)32-17-21-3-2-4-25(14-21)35-9-11-36-12-10-35;1-18-12-22(4-6-25(18)30)29-24(21-5-7-26-28(13-21)36-17-33-26)14-23(16-32-29)31-15-20-3-8-27(19(2)11-20)35-10-9-34;1-16-10-19(4-8-23(16)27)26-22(18-5-9-24-25(11-18)34-15-30-24)12-21(14-29-26)28-13-17-2-6-20(7-3-17)31-35(32)33;1-14-9-16(3-5-19(14)23)22-18(11-17(12-24-22)27-8-2-7-26-27)15-4-6-20-21(10-15)28-13-25-20/h2-9,14-16,18,20,33H,10-13,17,19H2,1H3;2-9,14-16,18-19,26,33H,10-13,17H2,1H3;2-8,13-16,18-19,32H,9-12,17H2,1H3;3-8,11-14,16-17,31,34H,9-10,15H2,1-2H3;2-12,14-15,28,31H,13H2,1H3,(H,32,33);2-13H,1H3/p-1
InChIKeyQRRRYQDKMYQSRK-UHFFFAOYSA-M
XLogP40.20
TPSA357.67 Ų
H-Bond Donors7
H-Bond Acceptors35
Rotatable Bonds38
Heavy Atoms212
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002950.62
LogP ≤ 540.20
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(3-morpholin-4-ylphenyl)methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(oxan-4-yloxy)phenyl]methyl]pyridin-3-amine;2-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenoxy]ethanol;6-[2-(4-fluoro-3-methylphenyl)-5-pyrazol-1-yl-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-5-[[4-(sulfinatoamino)phenyl]methylamino]-3-pyridinyl]-1,3-benzothiazole with MolForge

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Launch Full Analysis

Related Compounds

3-[4-(1,3-benzothiazol-5-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-3-ethoxyprop-1-en-2-ol;3-ethoxy-3-[4-(1-ethylpyrazol-4-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[4-(1H-indazol-6-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[4-(6-methoxy-3-pyridinyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[2-methyl-4-(1-methylindazol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[2-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol
CID 161219727
4-[[[5-(1,3-Benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]benzene-1,2-diol;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-fluorophenol;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methoxy-6-methylphenol;5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-3-methoxy-2-methylphenol;bis(4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenol)
CID 157418377
5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(3-morpholin-4-ylphenyl)methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-3-amine;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenol;2-[5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenoxy]acetamide;2-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenoxy]ethanol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one;6-[2-(4-fluoro-3-methylphenyl)-5-pyrazol-1-yl-3-pyridinyl]-1,3-benzothiazole
CID 157620750
4-[[[5-(1,3-Benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]benzene-1,2-diol;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-fluorophenol;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methoxy-6-methylphenol;5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-3-methoxy-2-methylphenol;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenol
CID 158052602
Fluorobenzene;1-[(2-fluoro-6-methoxyphenyl)methyl]-3-propan-2-ylpiperidine;1-fluoro-3-methylbutane;4-fluoro-4-methyl-1-(4-methyl-3-phenylpentyl)piperidine;1-(4-fluorophenyl)-4-(2-methylpropyl)pyrazole;3-methylbutan-2-ylbenzene;4-(3-methylbutyl)-2-(phenoxymethyl)morpholine;2-(3-methylbutyl)-5-phenyl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-4-(3-methylbutan-2-yl)benzene;4-methyl-5-(2-methylpropyl)-2-propan-2-yl-1,3-thiazole;3-methyl-2-phenylbutan-1-amine;3-methyl-2-phenylbutan-1-ol;1-methyl-3-phenyl-4-propan-2-ylpyrrolidine;3-(2-methylpropyl)-3-phenyloxolane;3-(2-methylpropyl)pyrazolo[1,5-a]pyridine;2-phenyl-5-propan-2-ylpyrrolidine;(2-propan-2-ylcyclopentyl)benzene
CID 158942208
5-(1,3-benzothiazol-6-yl)-N-[(2-ethyl-1H-imidazol-5-yl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(oxan-4-yloxy)phenyl]methyl]pyridin-3-amine;2-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenoxy]ethanol;6-[2-(4-fluoro-3-methylphenyl)-5-pyrazol-1-yl-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-5-[[4-(sulfinatoamino)phenyl]methylamino]-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-methylphenyl)-3-pyridinyl]-3H-quinazolin-4-one
CID 159666914
5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(3-morpholin-4-ylphenyl)methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-3-amine;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenol;2-[5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenoxy]acetamide;6-[2-(4-fluoro-3-methylphenyl)-5-pyrazol-1-yl-3-pyridinyl]-1,3-benzothiazole
CID 160276428
5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(3-morpholin-4-ylphenyl)methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(oxan-4-yloxy)phenyl]methyl]pyridin-3-amine;2-[5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenoxy]acetamide;2-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenoxy]ethanol;6-[2-(4-fluoro-3-methylphenyl)-5-pyrazol-1-yl-3-pyridinyl]-1,3-benzothiazole
CID 161060267

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(3-morpholin-4-ylphenyl)methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(oxan-4-yloxy)phenyl]methyl]pyridin-3-amine;2-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenoxy]ethanol;6-[2-(4-fluoro-3-methylphenyl)-5-pyrazol-1-yl-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-5-[[4-(sulfinatoamino)phenyl]methylamino]-3-pyridinyl]-1,3-benzothiazole?
The IUPAC name of 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(3-morpholin-4-ylphenyl)methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(oxan-4-yloxy)phenyl]methyl]pyridin-3-amine;2-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenoxy]ethanol;6-[2-(4-fluoro-3-methylphenyl)-5-pyrazol-1-yl-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-5-[[4-(sulfinatoamino)phenyl]methylamino]-3-pyridinyl]-1,3-benzothiazole (CID 159734251) is 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(3-morpholin-4-ylphenyl)methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(oxan-4-yloxy)phenyl]methyl]pyridin-3-amine;2-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenoxy]ethanol;6-[2-(4-fluoro-3-methylphenyl)-5-pyrazol-1-yl-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-5-[[4-(sulfinatoamino)phenyl]methylamino]-3-pyridinyl]-1,3-benzothiazole.
What is the SMILES notation for 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(3-morpholin-4-ylphenyl)methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(oxan-4-yloxy)phenyl]methyl]pyridin-3-amine;2-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenoxy]ethanol;6-[2-(4-fluoro-3-methylphenyl)-5-pyrazol-1-yl-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-5-[[4-(sulfinatoamino)phenyl]methylamino]-3-pyridinyl]-1,3-benzothiazole?
The canonical SMILES for 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(3-morpholin-4-ylphenyl)methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(oxan-4-yloxy)phenyl]methyl]pyridin-3-amine;2-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenoxy]ethanol;6-[2-(4-fluoro-3-methylphenyl)-5-pyrazol-1-yl-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-5-[[4-(sulfinatoamino)phenyl]methylamino]-3-pyridinyl]-1,3-benzothiazole is Cc1cc(-c2ncc(-n3cccn3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3ccc(CN4CCOCC4)cc3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3ccc(NS(=O)[O-])cc3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3ccc(OC4CCOCC4)cc3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3ccc(OCCO)c(C)c3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3cccc(N4CCOCC4)c3)cc2-c2ccc3ncsc3c2)ccc1F.
What is the InChIKey of 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(3-morpholin-4-ylphenyl)methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(oxan-4-yloxy)phenyl]methyl]pyridin-3-amine;2-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenoxy]ethanol;6-[2-(4-fluoro-3-methylphenyl)-5-pyrazol-1-yl-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-5-[[4-(sulfinatoamino)phenyl]methylamino]-3-pyridinyl]-1,3-benzothiazole?
The InChIKey is QRRRYQDKMYQSRK-UHFFFAOYSA-M. The full InChI is InChI=1S/C31H29FN4OS.C31H28FN3O2S.C30H27FN4OS.C29H26FN3O2S.C26H21FN4O2S2.C22H15FN4S/c1-21-14-25(6-8-28(21)32)31-27(24-7-9-29-30(15-24)38-20-35-29)16-26(18-34-31)33-17-22-2-4-23(5-3-22)19-36-10-12-37-13-11-36;1-20-14-23(4-8-28(20)32)31-27(22-5-9-29-30(15-22)38-19-35-29)16-24(18-34-31)33-17-21-2-6-25(7-3-21)37-26-10-12-36-13-11-26;1-20-13-23(5-7-27(20)31)30-26(22-6-8-28-29(15-22)37-19-34-28)16-24(18-33-30)32-17-21-3-2-4-25(14-21)35-9-11-36-12-10-35;1-18-12-22(4-6-25(18)30)29-24(21-5-7-26-28(13-21)36-17-33-26)14-23(16-32-29)31-15-20-3-8-27(19(2)11-20)35-10-9-34;1-16-10-19(4-8-23(16)27)26-22(18-5-9-24-25(11-18)34-15-30-24)12-21(14-29-26)28-13-17-2-6-20(7-3-17)31-35(32)33;1-14-9-16(3-5-19(14)23)22-18(11-17(12-24-22)27-8-2-7-26-27)15-4-6-20-21(10-15)28-13-25-20/h2-9,14-16,18,20,33H,10-13,17,19H2,1H3;2-9,14-16,18-19,26,33H,10-13,17H2,1H3;2-8,13-16,18-19,32H,9-12,17H2,1H3;3-8,11-14,16-17,31,34H,9-10,15H2,1-2H3;2-12,14-15,28,31H,13H2,1H3,(H,32,33);2-13H,1H3/p-1.
What are the key properties of 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(3-morpholin-4-ylphenyl)methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(oxan-4-yloxy)phenyl]methyl]pyridin-3-amine;2-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenoxy]ethanol;6-[2-(4-fluoro-3-methylphenyl)-5-pyrazol-1-yl-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-5-[[4-(sulfinatoamino)phenyl]methylamino]-3-pyridinyl]-1,3-benzothiazole?
5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(3-morpholin-4-ylphenyl)methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(oxan-4-yloxy)phenyl]methyl]pyridin-3-amine;2-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenoxy]ethanol;6-[2-(4-fluoro-3-methylphenyl)-5-pyrazol-1-yl-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-5-[[4-(sulfinatoamino)phenyl]methylamino]-3-pyridinyl]-1,3-benzothiazole has a molecular weight of 2950.62 g/mol, XLogP of 40.20, 38 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(3-morpholin-4-ylphenyl)methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(oxan-4-yloxy)phenyl]methyl]pyridin-3-amine;2-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenoxy]ethanol;6-[2-(4-fluoro-3-methylphenyl)-5-pyrazol-1-yl-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-5-[[4-(sulfinatoamino)phenyl]methylamino]-3-pyridinyl]-1,3-benzothiazole is sourced from PubChem (CID 159734251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).