5-[[4-anilino-2-(dimethylamino)-1,3-thiazol-5-yl]diazenyl]-3-methyl-1-pyrimidin-2-ylpyrazole-4-carbonitrile;N-[5-[[1-(1,3-benzothiazol-2-yl)-4-methylsulfonylpyrazol-5-yl]diazenyl]-2-(dimethylamino)-1,3-thiazol-4-yl]acetamide;N-[5-[(4-cyano-1-methylpyrazol-5-yl)diazenyl]-4-(methylamino)-1,3-thiazol-2-yl]acetamide;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-(dimethylsulfamoylamino)-2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazole;methyl 5-[[2-(dimethylamino)-4-(pyridin-2-ylamino)-1,3-thiazol-5-yl]diazenyl]-1-pyrazin-2-ylpyrazole-4-carboxylate

C87H90N48O8S8 — CID 161458404

About 5-[[4-anilino-2-(dimethylamino)-1,3-thiazol-5-yl]diazenyl]-3-methyl-1-pyrimidin-2-ylpyrazole-4-carbonitrile;N-[5-[[1-(1,3-benzothiazol-2-yl)-4-methylsulfonylpyrazol-5-yl]diazenyl]-2-(dimethylamino)-1,3-thiazol-4-yl]acetamide;N-[5-[(4-cyano-1-methylpyrazol-5-yl)diazenyl]-4-(methylamino)-1,3-thiazol-2-yl]acetamide;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-(dimethylsulfamoylamino)-2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazole;methyl 5-[[2-(dimethylamino)-4-(pyridin-2-ylamino)-1,3-thiazol-5-yl]diazenyl]-1-pyrazin-2-ylpyrazole-4-carboxylate

5-[[4-anilino-2-(dimethylamino)-1,3-thiazol-5-yl]diazenyl]-3-methyl-1-pyrimidin-2-ylpyrazole-4-carbonitrile;N-[5-[[1-(1,3-benzothiazol-2-yl)-4-methylsulfonylpyrazol-5-yl]diazenyl]-2-(dimethylamino)-1,3-thiazol-4-yl]acetamide;N-[5-[(4-cyano-1-methylpyrazol-5-yl)diazenyl]-4-(methylamino)-1,3-thiazol-2-yl]acetamide;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-(dimethylsulfamoylamino)-2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazole;methyl 5-[[2-(dimethylamino)-4-(pyridin-2-ylamino)-1,3-thiazol-5-yl]diazenyl]-1-pyrazin-2-ylpyrazole-4-carboxylate (PubChem CID 161458404) has the molecular formula C87H90N48O8S8 and a molecular weight of 2192.54 g/mol. Its IUPAC name is 5-[[4-anilino-2-(dimethylamino)-1,3-thiazol-5-yl]diazenyl]-3-methyl-1-pyrimidin-2-ylpyrazole-4-carbonitrile;N-[5-[[1-(1,3-benzothiazol-2-yl)-4-methylsulfonylpyrazol-5-yl]diazenyl]-2-(dimethylamino)-1,3-thiazol-4-yl]acetamide;N-[5-[(4-cyano-1-methylpyrazol-5-yl)diazenyl]-4-(methylamino)-1,3-thiazol-2-yl]acetamide;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-(dimethylsulfamoylamino)-2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazole;methyl 5-[[2-(dimethylamino)-4-(pyridin-2-ylamino)-1,3-thiazol-5-yl]diazenyl]-1-pyrazin-2-ylpyrazole-4-carboxylate.

Molecular Properties

• Compound Name: 5-[[4-anilino-2-(dimethylamino)-1,3-thiazol-5-yl]diazenyl]-3-methyl-1-pyrimidin-2-ylpyrazole-4-carbonitrile;N-[5-[[1-(1,3-benzothiazol-2-yl)-4-methylsulfonylpyrazol-5-yl]diazenyl]-2-(dimethylamino)-1,3-thiazol-4-yl]acetamide;N-[5-[(4-cyano-1-methylpyrazol-5-yl)diazenyl]-4-(methylamino)-1,3-thiazol-2-yl]acetamide;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-(dimethylsulfamoylamino)-2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazole;methyl 5-[[2-(dimethylamino)-4-(pyridin-2-ylamino)-1,3-thiazol-5-yl]diazenyl]-1-pyrazin-2-ylpyrazole-4-carboxylate
• PubChem CID: 161458404
• Molecular Formula: C87H90N48O8S8
• Molecular Weight: 2192.54 g/mol
• Exact Mass: 2190.59
• IUPAC Name: 5-[[4-anilino-2-(dimethylamino)-1,3-thiazol-5-yl]diazenyl]-3-methyl-1-pyrimidin-2-ylpyrazole-4-carbonitrile;N-[5-[[1-(1,3-benzothiazol-2-yl)-4-methylsulfonylpyrazol-5-yl]diazenyl]-2-(dimethylamino)-1,3-thiazol-4-yl]acetamide;N-[5-[(4-cyano-1-methylpyrazol-5-yl)diazenyl]-4-(methylamino)-1,3-thiazol-2-yl]acetamide;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-(dimethylsulfamoylamino)-2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazole;methyl 5-[[2-(dimethylamino)-4-(pyridin-2-ylamino)-1,3-thiazol-5-yl]diazenyl]-1-pyrazin-2-ylpyrazole-4-carboxylate
• SMILES: CC(=O)Nc1nc(N(C)C)sc1N=Nc1c(S(C)(=O)=O)cnn1-c1nc2ccccc2s1.CN1CCC(Nc2nc(NS(=O)(=O)N(C)C)c(N=Nc3c(C#N)cnn3-c3ncccn3)s2)CC1.CNc1nc(NC(C)=O)sc1N=Nc1c(C#N)cnn1C.COC(=O)c1cnn(-c2cnccn2)c1N=Nc1sc(N(C)C)nc1Nc1ccccn1.Cc1nn(-c2ncccn2)c(N=Nc2sc(N(C)C)nc2Nc2ccccc2)c1C#N
• InChI: InChI=1S/C20H18N10S.C19H24N12O2S2.C19H18N10O2S.C18H18N8O3S3.C11H12N8OS/c1-13-15(12-21)17(30(28-13)19-22-10-7-11-23-19)26-27-18-16(25-20(31-18)29(2)3)24-14-8-5-4-6-9-14;1-29(2)35(32,33)28-15-17(34-19(25-15)24-14-5-9-30(3)10-6-14)27-26-16-13(11-20)12-23-31(16)18-21-7-4-8-22-18;1-28(2)19-25-15(24-13-6-4-5-7-21-13)17(32-19)27-26-16-12(18(30)31-3)10-23-29(16)14-11-20-8-9-22-14;1-10(27)20-14-16(31-17(22-14)25(2)3)24-23-15-13(32(4,28)29)9-19-26(15)18-21-11-7-5-6-8-12(11)30-18;1-6(20)15-11-16-8(13-2)10(21-11)18-17-9-7(4-12)5-14-19(9)3/h4-11,24H,1-3H3;4,7-8,12,14,28H,5-6,9-10H2,1-3H3,(H,24,25);4-11H,1-3H3,(H,21,24);5-9H,1-4H3,(H,20,27);5,13H,1-3H3,(H,15,16,20)
• InChIKey: WBLVXYOJOCGWGE-UHFFFAOYSA-N
• XLogP: 16.13
• TPSA: 680.77 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 58
• Rotatable Bonds: 31
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2192.54
LogP ≤ 5	16.13
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	58

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[4-anilino-2-(dimethylamino)-1,3-thiazol-5-yl]diazenyl]-3-methyl-1-pyrimidin-2-ylpyrazole-4-carbonitrile;N-[5-[[1-(1,3-benzothiazol-2-yl)-4-methylsulfonylpyrazol-5-yl]diazenyl]-2-(dimethylamino)-1,3-thiazol-4-yl]acetamide;N-[5-[(4-cyano-1-methylpyrazol-5-yl)diazenyl]-4-(methylamino)-1,3-thiazol-2-yl]acetamide;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-(dimethylsulfamoylamino)-2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazole;methyl 5-[[2-(dimethylamino)-4-(pyridin-2-ylamino)-1,3-thiazol-5-yl]diazenyl]-1-pyrazin-2-ylpyrazole-4-carboxylate?

The IUPAC name of 5-[[4-anilino-2-(dimethylamino)-1,3-thiazol-5-yl]diazenyl]-3-methyl-1-pyrimidin-2-ylpyrazole-4-carbonitrile;N-[5-[[1-(1,3-benzothiazol-2-yl)-4-methylsulfonylpyrazol-5-yl]diazenyl]-2-(dimethylamino)-1,3-thiazol-4-yl]acetamide;N-[5-[(4-cyano-1-methylpyrazol-5-yl)diazenyl]-4-(methylamino)-1,3-thiazol-2-yl]acetamide;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-(dimethylsulfamoylamino)-2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazole;methyl 5-[[2-(dimethylamino)-4-(pyridin-2-ylamino)-1,3-thiazol-5-yl]diazenyl]-1-pyrazin-2-ylpyrazole-4-carboxylate (CID 161458404) is 5-[[4-anilino-2-(dimethylamino)-1,3-thiazol-5-yl]diazenyl]-3-methyl-1-pyrimidin-2-ylpyrazole-4-carbonitrile;N-[5-[[1-(1,3-benzothiazol-2-yl)-4-methylsulfonylpyrazol-5-yl]diazenyl]-2-(dimethylamino)-1,3-thiazol-4-yl]acetamide;N-[5-[(4-cyano-1-methylpyrazol-5-yl)diazenyl]-4-(methylamino)-1,3-thiazol-2-yl]acetamide;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-(dimethylsulfamoylamino)-2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazole;methyl 5-[[2-(dimethylamino)-4-(pyridin-2-ylamino)-1,3-thiazol-5-yl]diazenyl]-1-pyrazin-2-ylpyrazole-4-carboxylate.

What is the SMILES notation for 5-[[4-anilino-2-(dimethylamino)-1,3-thiazol-5-yl]diazenyl]-3-methyl-1-pyrimidin-2-ylpyrazole-4-carbonitrile;N-[5-[[1-(1,3-benzothiazol-2-yl)-4-methylsulfonylpyrazol-5-yl]diazenyl]-2-(dimethylamino)-1,3-thiazol-4-yl]acetamide;N-[5-[(4-cyano-1-methylpyrazol-5-yl)diazenyl]-4-(methylamino)-1,3-thiazol-2-yl]acetamide;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-(dimethylsulfamoylamino)-2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazole;methyl 5-[[2-(dimethylamino)-4-(pyridin-2-ylamino)-1,3-thiazol-5-yl]diazenyl]-1-pyrazin-2-ylpyrazole-4-carboxylate?

The canonical SMILES for 5-[[4-anilino-2-(dimethylamino)-1,3-thiazol-5-yl]diazenyl]-3-methyl-1-pyrimidin-2-ylpyrazole-4-carbonitrile;N-[5-[[1-(1,3-benzothiazol-2-yl)-4-methylsulfonylpyrazol-5-yl]diazenyl]-2-(dimethylamino)-1,3-thiazol-4-yl]acetamide;N-[5-[(4-cyano-1-methylpyrazol-5-yl)diazenyl]-4-(methylamino)-1,3-thiazol-2-yl]acetamide;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-(dimethylsulfamoylamino)-2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazole;methyl 5-[[2-(dimethylamino)-4-(pyridin-2-ylamino)-1,3-thiazol-5-yl]diazenyl]-1-pyrazin-2-ylpyrazole-4-carboxylate is CC(=O)Nc1nc(N(C)C)sc1N=Nc1c(S(C)(=O)=O)cnn1-c1nc2ccccc2s1.CN1CCC(Nc2nc(NS(=O)(=O)N(C)C)c(N=Nc3c(C#N)cnn3-c3ncccn3)s2)CC1.CNc1nc(NC(C)=O)sc1N=Nc1c(C#N)cnn1C.COC(=O)c1cnn(-c2cnccn2)c1N=Nc1sc(N(C)C)nc1Nc1ccccn1.Cc1nn(-c2ncccn2)c(N=Nc2sc(N(C)C)nc2Nc2ccccc2)c1C#N.

What is the InChIKey of 5-[[4-anilino-2-(dimethylamino)-1,3-thiazol-5-yl]diazenyl]-3-methyl-1-pyrimidin-2-ylpyrazole-4-carbonitrile;N-[5-[[1-(1,3-benzothiazol-2-yl)-4-methylsulfonylpyrazol-5-yl]diazenyl]-2-(dimethylamino)-1,3-thiazol-4-yl]acetamide;N-[5-[(4-cyano-1-methylpyrazol-5-yl)diazenyl]-4-(methylamino)-1,3-thiazol-2-yl]acetamide;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-(dimethylsulfamoylamino)-2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazole;methyl 5-[[2-(dimethylamino)-4-(pyridin-2-ylamino)-1,3-thiazol-5-yl]diazenyl]-1-pyrazin-2-ylpyrazole-4-carboxylate?

The InChIKey is WBLVXYOJOCGWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N10S.C19H24N12O2S2.C19H18N10O2S.C18H18N8O3S3.C11H12N8OS/c1-13-15(12-21)17(30(28-13)19-22-10-7-11-23-19)26-27-18-16(25-20(31-18)29(2)3)24-14-8-5-4-6-9-14;1-29(2)35(32,33)28-15-17(34-19(25-15)24-14-5-9-30(3)10-6-14)27-26-16-13(11-20)12-23-31(16)18-21-7-4-8-22-18;1-28(2)19-25-15(24-13-6-4-5-7-21-13)17(32-19)27-26-16-12(18(30)31-3)10-23-29(16)14-11-20-8-9-22-14;1-10(27)20-14-16(31-17(22-14)25(2)3)24-23-15-13(32(4,28)29)9-19-26(15)18-21-11-7-5-6-8-12(11)30-18;1-6(20)15-11-16-8(13-2)10(21-11)18-17-9-7(4-12)5-14-19(9)3/h4-11,24H,1-3H3;4,7-8,12,14,28H,5-6,9-10H2,1-3H3,(H,24,25);4-11H,1-3H3,(H,21,24);5-9H,1-4H3,(H,20,27);5,13H,1-3H3,(H,15,16,20).

What are the key properties of 5-[[4-anilino-2-(dimethylamino)-1,3-thiazol-5-yl]diazenyl]-3-methyl-1-pyrimidin-2-ylpyrazole-4-carbonitrile;N-[5-[[1-(1,3-benzothiazol-2-yl)-4-methylsulfonylpyrazol-5-yl]diazenyl]-2-(dimethylamino)-1,3-thiazol-4-yl]acetamide;N-[5-[(4-cyano-1-methylpyrazol-5-yl)diazenyl]-4-(methylamino)-1,3-thiazol-2-yl]acetamide;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-(dimethylsulfamoylamino)-2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazole;methyl 5-[[2-(dimethylamino)-4-(pyridin-2-ylamino)-1,3-thiazol-5-yl]diazenyl]-1-pyrazin-2-ylpyrazole-4-carboxylate?

5-[[4-anilino-2-(dimethylamino)-1,3-thiazol-5-yl]diazenyl]-3-methyl-1-pyrimidin-2-ylpyrazole-4-carbonitrile;N-[5-[[1-(1,3-benzothiazol-2-yl)-4-methylsulfonylpyrazol-5-yl]diazenyl]-2-(dimethylamino)-1,3-thiazol-4-yl]acetamide;N-[5-[(4-cyano-1-methylpyrazol-5-yl)diazenyl]-4-(methylamino)-1,3-thiazol-2-yl]acetamide;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-(dimethylsulfamoylamino)-2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazole;methyl 5-[[2-(dimethylamino)-4-(pyridin-2-ylamino)-1,3-thiazol-5-yl]diazenyl]-1-pyrazin-2-ylpyrazole-4-carboxylate has a molecular weight of 2192.54 g/mol, XLogP of 16.13, 31 rotatable bonds, 7 hydrogen bond donors, and 58 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-anilino-2-(dimethylamino)-1,3-thiazol-5-yl]diazenyl]-3-methyl-1-pyrimidin-2-ylpyrazole-4-carbonitrile;N-[5-[[1-(1,3-benzothiazol-2-yl)-4-methylsulfonylpyrazol-5-yl]diazenyl]-2-(dimethylamino)-1,3-thiazol-4-yl]acetamide;N-[5-[(4-cyano-1-methylpyrazol-5-yl)diazenyl]-4-(methylamino)-1,3-thiazol-2-yl]acetamide;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-(dimethylsulfamoylamino)-2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazole;methyl 5-[[2-(dimethylamino)-4-(pyridin-2-ylamino)-1,3-thiazol-5-yl]diazenyl]-1-pyrazin-2-ylpyrazole-4-carboxylate is sourced from PubChem (CID 161458404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).