5-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-(1,3-thiazol-2-yl)thiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[2-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-5-[(5,7-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-4-yl]phenyl]acetamide

C85H70N20OS3 — CID 91192797

IUPAC5-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-(1,3-thiazol-2-yl)thiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[2-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-5-[(5,7-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc(/N=N/c3c(Nc4ccc(C)cc4)nc(Nc4ccc(C)cc4)c(C#N)c3C)sc2/N=N/c2ccc3c(C)cc(C)cc3c2)cc1.Cc1ccc(Nc2nc(Nc3ccc(C)cc3)c(/N=N/c3sc(/N=N/c4cc(C)c5cccc(C)c5c4)c(-c4nccs4)c3C#N)c(C)c2C#N)cc1
InChIInChI=1S/C44H38N10OS.C41H32N10S2/c1-25-7-13-34(14-8-25)47-41-38(24-45)29(5)39(42(50-41)48-35-15-9-26(2)10-16-35)52-54-44-49-40(31-11-17-33(18-12-31)46-30(6)55)43(56-44)53-51-36-19-20-37-28(4)21-27(3)22-32(37)23-36;1-23-9-13-28(14-10-23)45-37-33(21-42)27(5)36(38(47-37)46-29-15-11-24(2)12-16-29)49-50-39-34(22-43)35(40-44-17-18-52-40)41(53-39)51-48-30-19-26(4)31-8-6-7-25(3)32(31)20-30/h7-23H,1-6H3,(H,46,55)(H2,47,48,50);6-20H,1-5H3,(H2,45,46,47)/b53-51+,54-52+;50-49+,51-48+
InChIKeyKCZVMOVHWVKSDC-ZRSSEGAJSA-N
MW1483.83 g/mol
LogP26.07
Rot. Bonds19

About 5-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-(1,3-thiazol-2-yl)thiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[2-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-5-[(5,7-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-4-yl]phenyl]acetamide

5-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-(1,3-thiazol-2-yl)thiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[2-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-5-[(5,7-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 91192797) has the molecular formula C85H70N20OS3 and a molecular weight of 1483.83 g/mol. Its IUPAC name is 5-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-(1,3-thiazol-2-yl)thiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[2-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-5-[(5,7-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound Name5-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-(1,3-thiazol-2-yl)thiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[2-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-5-[(5,7-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID91192797
Molecular FormulaC85H70N20OS3
Molecular Weight1483.83 g/mol
Exact Mass1482.52
IUPAC Name5-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-(1,3-thiazol-2-yl)thiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[2-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-5-[(5,7-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc(/N=N/c3c(Nc4ccc(C)cc4)nc(Nc4ccc(C)cc4)c(C#N)c3C)sc2/N=N/c2ccc3c(C)cc(C)cc3c2)cc1.Cc1ccc(Nc2nc(Nc3ccc(C)cc3)c(/N=N/c3sc(/N=N/c4cc(C)c5cccc(C)c5c4)c(-c4nccs4)c3C#N)c(C)c2C#N)cc1
InChIInChI=1S/C44H38N10OS.C41H32N10S2/c1-25-7-13-34(14-8-25)47-41-38(24-45)29(5)39(42(50-41)48-35-15-9-26(2)10-16-35)52-54-44-49-40(31-11-17-33(18-12-31)46-30(6)55)43(56-44)53-51-36-19-20-37-28(4)21-27(3)22-32(37)23-36;1-23-9-13-28(14-10-23)45-37-33(21-42)27(5)36(38(47-37)46-29-15-11-24(2)12-16-29)49-50-39-34(22-43)35(40-44-17-18-52-40)41(53-39)51-48-30-19-26(4)31-8-6-7-25(3)32(31)20-30/h7-23H,1-6H3,(H,46,55)(H2,47,48,50);6-20H,1-5H3,(H2,45,46,47)/b53-51+,54-52+;50-49+,51-48+
InChIKeyKCZVMOVHWVKSDC-ZRSSEGAJSA-N
XLogP26.07
TPSA299.03 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds19
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001483.83
LogP ≤ 526.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 5-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-(1,3-thiazol-2-yl)thiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[2-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-5-[(5,7-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-4-yl]phenyl]acetamide with MolForge

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Related Compounds

5-[[5-[(4,8-Dimethylnaphthalen-2-yl)diazenyl]-4-pyridin-3-yl-1,3-thiazol-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile
CID 57721856
5-[[3-Cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-(1,3-thiazol-2-yl)thiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile
CID 57721862
N-[4-[2-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-5-[(5,7-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 57721877
4-methyl-2,6-bis(4-methylanilino)-5-[[5-[[(E)-2-(2-methyl-6-prop-1-en-2-ylphenyl)ethenyl]diazenyl]-4-pyridin-3-yl-1,3-thiazol-2-yl]diazenyl]pyridine-3-carbonitrile
CID 57873959
5-[[3-cyano-5-[[(E)-2-(2-methyl-6-prop-1-en-2-ylphenyl)ethenyl]diazenyl]-4-(1,3-thiazol-2-yl)thiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile
CID 57873970
2-[4-[5-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidin-6-yl]quinolin-7-yl]-4-[2-[4-methyl-6-(1-methylimidazol-2-yl)-2-oxo-5,6-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile
CID 123346715
2-isoquinolin-5-yl-N-[4-[2-[[8-[2-oxo-2-[(2-pyridin-2-ylthiophen-3-yl)amino]ethyl]naphthalen-2-yl]methyl]-1,2,4-triazol-3-yl]-1,3-thiazol-5-yl]acetamide
CID 139364376
N-[8-[2-(2-acetamido-1,7-naphthyridin-3-yl)-1,3-benzothiazol-4-yl]-5-(1,3-benzothiazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6-yl]acetamide
CID 144474163
(E)-2,3-bis[4-[4-[6-(1H-benzo[cd]indol-2-ylideneamino)-3-pyridinyl]-N-[4-(1,3-thiazol-2-yl)phenyl]anilino]phenyl]but-2-enedinitrile
CID 156260775
(E)-2,3-bis[4-[4-[6-(1H-benzo[cd]indol-2-ylideneamino)-3-pyridinyl]-N-[4-(1,3-thiazol-2-yl)phenyl]anilino]phenyl]-3-isocyanoprop-2-enenitrile
CID 156673440
5-[[4-(4-chlorophenyl)-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[4-cyano-5-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-2-[(4,8-dimethylnaphthalen-2-yl)diazenyl]thiophen-3-yl]phenyl]acetamide;5-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-phenylthiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile
CID 157447388
5-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-(1,3-thiazol-2-yl)thiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[2-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-5-[(5,7-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-4-yl]phenyl]acetamide;5-[[5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-pyridin-3-yl-1,3-thiazol-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;4-methyl-2,6-bis(4-methylanilino)-5-[[4-naphthalen-2-yl-5-[(4,6,8-trimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-2-yl]diazenyl]pyridine-3-carbonitrile
CID 158648344

Frequently Asked Questions

What is the IUPAC name of 5-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-(1,3-thiazol-2-yl)thiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[2-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-5-[(5,7-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of 5-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-(1,3-thiazol-2-yl)thiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[2-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-5-[(5,7-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-4-yl]phenyl]acetamide (CID 91192797) is 5-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-(1,3-thiazol-2-yl)thiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[2-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-5-[(5,7-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for 5-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-(1,3-thiazol-2-yl)thiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[2-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-5-[(5,7-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for 5-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-(1,3-thiazol-2-yl)thiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[2-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-5-[(5,7-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-4-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2nc(/N=N/c3c(Nc4ccc(C)cc4)nc(Nc4ccc(C)cc4)c(C#N)c3C)sc2/N=N/c2ccc3c(C)cc(C)cc3c2)cc1.Cc1ccc(Nc2nc(Nc3ccc(C)cc3)c(/N=N/c3sc(/N=N/c4cc(C)c5cccc(C)c5c4)c(-c4nccs4)c3C#N)c(C)c2C#N)cc1.
What is the InChIKey of 5-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-(1,3-thiazol-2-yl)thiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[2-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-5-[(5,7-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is KCZVMOVHWVKSDC-ZRSSEGAJSA-N. The full InChI is InChI=1S/C44H38N10OS.C41H32N10S2/c1-25-7-13-34(14-8-25)47-41-38(24-45)29(5)39(42(50-41)48-35-15-9-26(2)10-16-35)52-54-44-49-40(31-11-17-33(18-12-31)46-30(6)55)43(56-44)53-51-36-19-20-37-28(4)21-27(3)22-32(37)23-36;1-23-9-13-28(14-10-23)45-37-33(21-42)27(5)36(38(47-37)46-29-15-11-24(2)12-16-29)49-50-39-34(22-43)35(40-44-17-18-52-40)41(53-39)51-48-30-19-26(4)31-8-6-7-25(3)32(31)20-30/h7-23H,1-6H3,(H,46,55)(H2,47,48,50);6-20H,1-5H3,(H2,45,46,47)/b53-51+,54-52+;50-49+,51-48+.
What are the key properties of 5-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-(1,3-thiazol-2-yl)thiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[2-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-5-[(5,7-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-4-yl]phenyl]acetamide?
5-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-(1,3-thiazol-2-yl)thiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[2-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-5-[(5,7-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 1483.83 g/mol, XLogP of 26.07, 19 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-(1,3-thiazol-2-yl)thiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[2-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-5-[(5,7-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 91192797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).