N-[4-[2-[[4-[4-[2-[1-[2-[[4-[4-[2-(dimethylamino)-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]propan-2-yloxy]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(1-hydroxypyridin-1-ium-3-yl)phenyl]-1,3-thiazol-2-amine

C65H56N13O2S3+ — CID 144544570

IUPACN-[4-[2-[[4-[4-[2-[1-[2-[[4-[4-[2-(dimethylamino)-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]propan-2-yloxy]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(1-hydroxypyridin-1-ium-3-yl)phenyl]-1,3-thiazol-2-amine
SMILESCc1cc(-c2ccc(C)nc2Nc2nc(-c3ccc(-c4ccnc(OC(C)Cc5ccc(C)nc5Nc5nc(-c6ccc(-c7ccnc(N(C)C)c7)cc6)cs5)c4)cc3)cs2)cc(Nc2nc(-c3ccc(-c4ccc[n+](O)c4)cc3)cs2)n1
InChIInChI=1S/C65H56N13O2S3/c1-39-9-11-51(61(69-39)75-64-72-56(37-82-64)46-18-12-43(13-19-46)49-25-27-66-59(33-49)77(5)6)31-42(4)80-60-34-50(26-28-67-60)44-14-20-47(21-15-44)57-38-83-65(73-57)76-62-54(24-10-40(2)70-62)53-30-41(3)68-58(32-53)74-63-71-55(36-81-63)48-22-16-45(17-23-48)52-8-7-29-78(79)35-52/h7-30,32-38,42,79H,31H2,1-6H3,(H,68,71,74)(H,69,72,75)(H,70,73,76)/q+1
InChIKeyBQHHDJRZRVQTGL-UHFFFAOYSA-N
MW1147.45 g/mol
LogP15.46
Rot. Bonds18

About N-[4-[2-[[4-[4-[2-[1-[2-[[4-[4-[2-(dimethylamino)-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]propan-2-yloxy]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(1-hydroxypyridin-1-ium-3-yl)phenyl]-1,3-thiazol-2-amine

N-[4-[2-[[4-[4-[2-[1-[2-[[4-[4-[2-(dimethylamino)-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]propan-2-yloxy]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(1-hydroxypyridin-1-ium-3-yl)phenyl]-1,3-thiazol-2-amine (PubChem CID 144544570) has the molecular formula C65H56N13O2S3+ and a molecular weight of 1147.45 g/mol. Its IUPAC name is N-[4-[2-[[4-[4-[2-[1-[2-[[4-[4-[2-(dimethylamino)-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]propan-2-yloxy]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(1-hydroxypyridin-1-ium-3-yl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-[2-[[4-[4-[2-[1-[2-[[4-[4-[2-(dimethylamino)-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]propan-2-yloxy]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(1-hydroxypyridin-1-ium-3-yl)phenyl]-1,3-thiazol-2-amine
PubChem CID144544570
Molecular FormulaC65H56N13O2S3+
Molecular Weight1147.45 g/mol
Exact Mass1146.38
IUPAC NameN-[4-[2-[[4-[4-[2-[1-[2-[[4-[4-[2-(dimethylamino)-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]propan-2-yloxy]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(1-hydroxypyridin-1-ium-3-yl)phenyl]-1,3-thiazol-2-amine
SMILESCc1cc(-c2ccc(C)nc2Nc2nc(-c3ccc(-c4ccnc(OC(C)Cc5ccc(C)nc5Nc5nc(-c6ccc(-c7ccnc(N(C)C)c7)cc6)cs5)c4)cc3)cs2)cc(Nc2nc(-c3ccc(-c4ccc[n+](O)c4)cc3)cs2)n1
InChIInChI=1S/C65H56N13O2S3/c1-39-9-11-51(61(69-39)75-64-72-56(37-82-64)46-18-12-43(13-19-46)49-25-27-66-59(33-49)77(5)6)31-42(4)80-60-34-50(26-28-67-60)44-14-20-47(21-15-44)57-38-83-65(73-57)76-62-54(24-10-40(2)70-62)53-30-41(3)68-58(32-53)74-63-71-55(36-81-63)48-22-16-45(17-23-48)52-8-7-29-78(79)35-52/h7-30,32-38,42,79H,31H2,1-6H3,(H,68,71,74)(H,69,72,75)(H,70,73,76)/q+1
InChIKeyBQHHDJRZRVQTGL-UHFFFAOYSA-N
XLogP15.46
TPSA175.79 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001147.45
LogP ≤ 515.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-[4-[2-[[4-[4-[2-[1-[2-[[4-[4-[2-(dimethylamino)-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]propan-2-yloxy]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(1-hydroxypyridin-1-ium-3-yl)phenyl]-1,3-thiazol-2-amine with MolForge

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Launch Full Analysis

Related Compounds

4-[4-[2-(2-methoxyethoxy)-4-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 71615459
4-[4-[6-(2-methoxyethoxy)-3-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 71615460
N-(6-methyl-2-pyridinyl)-4-[4-(2-propan-2-yloxy-4-pyridinyl)phenyl]-1,3-thiazol-2-amine
CID 89423316
N-(6-methyl-2-pyridinyl)-4-[4-(6-propan-2-yloxy-3-pyridinyl)phenyl]-1,3-thiazol-2-amine
CID 89427074
acetonitrile;2-(dimethylamino)ethanol;4-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-(2-fluoro-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;iodomethane;methane;trimethyl-[2-[[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-pyridinyl]oxy]ethyl]azanium;iodide
CID 159727147
4-(4-Methoxyphenyl)-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-thiazole;4-phenyl-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-thiazole
CID 68879455
1-[4-[[5-Phenoxy-6-[[4-(2-phenylethyl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]sulfanyl-pyridin-2-ylmethyl]piperidin-1-yl]ethanol
CID 87380722
2-[[5-[4-[2-[(6-Methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]-2-pyridinyl]oxy]acetonitrile
CID 89427061
2-[[4-[4-[2-[(6-Methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]-2-pyridinyl]oxy]acetonitrile
CID 89427078
4-(4-bromophenyl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine;4-[4-(6-methoxy-3-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 117677139
N-[4-[2-[[4-[4-[2-[1-[2-[[4-[4-[2-(dimethylamino)-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]propan-2-yloxy]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(1-methoxypyridin-1-ium-3-yl)phenyl]-1,3-thiazol-2-amine
CID 123255019
N-[4-[2-[[4-[4-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(2-methyl-3-pyridinyl)phenyl]-1,3-thiazol-2-amine
CID 123514099

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[4-[4-[2-[1-[2-[[4-[4-[2-(dimethylamino)-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]propan-2-yloxy]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(1-hydroxypyridin-1-ium-3-yl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[4-[2-[[4-[4-[2-[1-[2-[[4-[4-[2-(dimethylamino)-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]propan-2-yloxy]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(1-hydroxypyridin-1-ium-3-yl)phenyl]-1,3-thiazol-2-amine (CID 144544570) is N-[4-[2-[[4-[4-[2-[1-[2-[[4-[4-[2-(dimethylamino)-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]propan-2-yloxy]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(1-hydroxypyridin-1-ium-3-yl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-[2-[[4-[4-[2-[1-[2-[[4-[4-[2-(dimethylamino)-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]propan-2-yloxy]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(1-hydroxypyridin-1-ium-3-yl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-[2-[[4-[4-[2-[1-[2-[[4-[4-[2-(dimethylamino)-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]propan-2-yloxy]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(1-hydroxypyridin-1-ium-3-yl)phenyl]-1,3-thiazol-2-amine is Cc1cc(-c2ccc(C)nc2Nc2nc(-c3ccc(-c4ccnc(OC(C)Cc5ccc(C)nc5Nc5nc(-c6ccc(-c7ccnc(N(C)C)c7)cc6)cs5)c4)cc3)cs2)cc(Nc2nc(-c3ccc(-c4ccc[n+](O)c4)cc3)cs2)n1.
What is the InChIKey of N-[4-[2-[[4-[4-[2-[1-[2-[[4-[4-[2-(dimethylamino)-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]propan-2-yloxy]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(1-hydroxypyridin-1-ium-3-yl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is BQHHDJRZRVQTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H56N13O2S3/c1-39-9-11-51(61(69-39)75-64-72-56(37-82-64)46-18-12-43(13-19-46)49-25-27-66-59(33-49)77(5)6)31-42(4)80-60-34-50(26-28-67-60)44-14-20-47(21-15-44)57-38-83-65(73-57)76-62-54(24-10-40(2)70-62)53-30-41(3)68-58(32-53)74-63-71-55(36-81-63)48-22-16-45(17-23-48)52-8-7-29-78(79)35-52/h7-30,32-38,42,79H,31H2,1-6H3,(H,68,71,74)(H,69,72,75)(H,70,73,76)/q+1.
What are the key properties of N-[4-[2-[[4-[4-[2-[1-[2-[[4-[4-[2-(dimethylamino)-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]propan-2-yloxy]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(1-hydroxypyridin-1-ium-3-yl)phenyl]-1,3-thiazol-2-amine?
N-[4-[2-[[4-[4-[2-[1-[2-[[4-[4-[2-(dimethylamino)-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]propan-2-yloxy]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(1-hydroxypyridin-1-ium-3-yl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 1147.45 g/mol, XLogP of 15.46, 18 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[4-[4-[2-[1-[2-[[4-[4-[2-(dimethylamino)-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]propan-2-yloxy]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(1-hydroxypyridin-1-ium-3-yl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 144544570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).