N-(1,3-benzothiazol-2-yldiazenyl)-1,3-benzothiazol-2-amine;3-[2-(4-carbamoyl-1-methylpyrazol-3-yl)iminohydrazinyl]-1-methylpyrazole-4-carboxamide;4-ethyl-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)diazenyl]-5-methyl-1,2,4-triazol-3-amine;5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)diazenyl]-1,2-oxazol-3-amine;6-methyl-N-[(6-methyl-3-pyridinyl)diazenyl]pyridin-3-amine;3-methyl-N-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]-1,2,4-thiadiazol-5-amine;N-(1,2,5-oxadiazol-3-yldiazenyl)-1,2,5-oxadiazol-3-amine;1-phenyl-N-[(1-phenyltetrazol-5-yl)diazenyl]tetrazol-5-amine;N-(pyridin-3-yldiazenyl)pyridin-3-amine;N-(quinolin-3-yldiazenyl)quinolin-3-amine

C106H104N68O6S4 — CID 158101215

About N-(1,3-benzothiazol-2-yldiazenyl)-1,3-benzothiazol-2-amine;3-[2-(4-carbamoyl-1-methylpyrazol-3-yl)iminohydrazinyl]-1-methylpyrazole-4-carboxamide;4-ethyl-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)diazenyl]-5-methyl-1,2,4-triazol-3-amine;5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)diazenyl]-1,2-oxazol-3-amine;6-methyl-N-[(6-methyl-3-pyridinyl)diazenyl]pyridin-3-amine;3-methyl-N-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]-1,2,4-thiadiazol-5-amine;N-(1,2,5-oxadiazol-3-yldiazenyl)-1,2,5-oxadiazol-3-amine;1-phenyl-N-[(1-phenyltetrazol-5-yl)diazenyl]tetrazol-5-amine;N-(pyridin-3-yldiazenyl)pyridin-3-amine;N-(quinolin-3-yldiazenyl)quinolin-3-amine

N-(1,3-benzothiazol-2-yldiazenyl)-1,3-benzothiazol-2-amine;3-[2-(4-carbamoyl-1-methylpyrazol-3-yl)iminohydrazinyl]-1-methylpyrazole-4-carboxamide;4-ethyl-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)diazenyl]-5-methyl-1,2,4-triazol-3-amine;5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)diazenyl]-1,2-oxazol-3-amine;6-methyl-N-[(6-methyl-3-pyridinyl)diazenyl]pyridin-3-amine;3-methyl-N-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]-1,2,4-thiadiazol-5-amine;N-(1,2,5-oxadiazol-3-yldiazenyl)-1,2,5-oxadiazol-3-amine;1-phenyl-N-[(1-phenyltetrazol-5-yl)diazenyl]tetrazol-5-amine;N-(pyridin-3-yldiazenyl)pyridin-3-amine;N-(quinolin-3-yldiazenyl)quinolin-3-amine (PubChem CID 158101215) has the molecular formula C106H104N68O6S4 and a molecular weight of 2554.74 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yldiazenyl)-1,3-benzothiazol-2-amine;3-[2-(4-carbamoyl-1-methylpyrazol-3-yl)iminohydrazinyl]-1-methylpyrazole-4-carboxamide;4-ethyl-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)diazenyl]-5-methyl-1,2,4-triazol-3-amine;5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)diazenyl]-1,2-oxazol-3-amine;6-methyl-N-[(6-methyl-3-pyridinyl)diazenyl]pyridin-3-amine;3-methyl-N-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]-1,2,4-thiadiazol-5-amine;N-(1,2,5-oxadiazol-3-yldiazenyl)-1,2,5-oxadiazol-3-amine;1-phenyl-N-[(1-phenyltetrazol-5-yl)diazenyl]tetrazol-5-amine;N-(pyridin-3-yldiazenyl)pyridin-3-amine;N-(quinolin-3-yldiazenyl)quinolin-3-amine.

Molecular Properties

• Compound Name: N-(1,3-benzothiazol-2-yldiazenyl)-1,3-benzothiazol-2-amine;3-[2-(4-carbamoyl-1-methylpyrazol-3-yl)iminohydrazinyl]-1-methylpyrazole-4-carboxamide;4-ethyl-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)diazenyl]-5-methyl-1,2,4-triazol-3-amine;5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)diazenyl]-1,2-oxazol-3-amine;6-methyl-N-[(6-methyl-3-pyridinyl)diazenyl]pyridin-3-amine;3-methyl-N-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]-1,2,4-thiadiazol-5-amine;N-(1,2,5-oxadiazol-3-yldiazenyl)-1,2,5-oxadiazol-3-amine;1-phenyl-N-[(1-phenyltetrazol-5-yl)diazenyl]tetrazol-5-amine;N-(pyridin-3-yldiazenyl)pyridin-3-amine;N-(quinolin-3-yldiazenyl)quinolin-3-amine
• PubChem CID: 158101215
• Molecular Formula: C106H104N68O6S4
• Molecular Weight: 2554.74 g/mol
• Exact Mass: 2552.88
• IUPAC Name: N-(1,3-benzothiazol-2-yldiazenyl)-1,3-benzothiazol-2-amine;3-[2-(4-carbamoyl-1-methylpyrazol-3-yl)iminohydrazinyl]-1-methylpyrazole-4-carboxamide;4-ethyl-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)diazenyl]-5-methyl-1,2,4-triazol-3-amine;5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)diazenyl]-1,2-oxazol-3-amine;6-methyl-N-[(6-methyl-3-pyridinyl)diazenyl]pyridin-3-amine;3-methyl-N-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]-1,2,4-thiadiazol-5-amine;N-(1,2,5-oxadiazol-3-yldiazenyl)-1,2,5-oxadiazol-3-amine;1-phenyl-N-[(1-phenyltetrazol-5-yl)diazenyl]tetrazol-5-amine;N-(pyridin-3-yldiazenyl)pyridin-3-amine;N-(quinolin-3-yldiazenyl)quinolin-3-amine
• SMILES: CCn1c(C)nnc1N=NNc1nnc(C)n1CC.Cc1cc(/N=N/Nc2cc(C)on2)no1.Cc1ccc(/N=N/Nc2ccc(C)nc2)cn1.Cc1nsc(N=NNc2nc(C)ns2)n1.Cn1cc(C(N)=O)c(/N=N/Nc2nn(C)cc2C(N)=O)n1.c1ccc(-n2nnnc2N=NNc2nnnn2-c2ccccc2)cc1.c1ccc2ncc(/N=N/Nc3cnc4ccccc4c3)cc2c1.c1ccc2sc(N=NNc3nc4ccccc4s3)nc2c1.c1cncc(/N=N/Nc2cccnc2)c1.c1nonc1/N=N/Nc1cnon1
• InChI: InChI=1S/C18H13N5.C14H11N11.C14H9N5S2.C12H13N5.C10H13N9O2.C10H17N9.C10H9N5.C8H9N5O2.C6H7N7S2.C4H3N7O2/c1-3-7-17-13(5-1)9-15(11-19-17)21-23-22-16-10-14-6-2-4-8-18(14)20-12-16;1-3-7-11(8-4-1)24-13(17-20-22-24)15-19-16-14-18-21-23-25(14)12-9-5-2-6-10-12;1-3-7-11-9(5-1)15-13(20-11)17-19-18-14-16-10-6-2-4-8-12(10)21-14;1-9-3-5-11(7-13-9)15-17-16-12-6-4-10(2)14-8-12;1-18-3-5(7(11)20)9(15-18)13-17-14-10-6(8(12)21)4-19(2)16-10;1-5-18-7(3)11-13-9(18)15-17-16-10-14-12-8(4)19(10)6-2;1-3-9(7-11-5-1)13-15-14-10-4-2-6-12-8-10;1-5-3-7(11-14-5)9-13-10-8-4-6(2)15-12-8;1-3-7-5(14-11-3)9-13-10-6-8-4(2)12-15-6;1-3(9-12-5-1)7-11-8-4-2-6-13-10-4/h1-12H,(H,21,22);1-10H,(H,15,16,17,18,22,23);1-8H,(H,15,16,17,18);3-8H,1-2H3,(H,15,16);3-4H,1-2H3,(H2,11,20)(H2,12,21)(H,13,14,15,16);5-6H2,1-4H3,(H,13,14,15,16);1-8H,(H,13,14);3-4H,1-2H3,(H,9,10,11,12);1-2H3,(H,7,8,9,10,11,12);1-2H,(H,7,8,9,10)
• InChIKey: FPGWCHUHXNBLDF-UHFFFAOYSA-N
• XLogP: 23.62
• TPSA: 922.52 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 66
• Rotatable Bonds: 36
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2554.74
LogP ≤ 5	23.62
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	66

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yldiazenyl)-1,3-benzothiazol-2-amine;3-[2-(4-carbamoyl-1-methylpyrazol-3-yl)iminohydrazinyl]-1-methylpyrazole-4-carboxamide;4-ethyl-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)diazenyl]-5-methyl-1,2,4-triazol-3-amine;5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)diazenyl]-1,2-oxazol-3-amine;6-methyl-N-[(6-methyl-3-pyridinyl)diazenyl]pyridin-3-amine;3-methyl-N-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]-1,2,4-thiadiazol-5-amine;N-(1,2,5-oxadiazol-3-yldiazenyl)-1,2,5-oxadiazol-3-amine;1-phenyl-N-[(1-phenyltetrazol-5-yl)diazenyl]tetrazol-5-amine;N-(pyridin-3-yldiazenyl)pyridin-3-amine;N-(quinolin-3-yldiazenyl)quinolin-3-amine?

The IUPAC name of N-(1,3-benzothiazol-2-yldiazenyl)-1,3-benzothiazol-2-amine;3-[2-(4-carbamoyl-1-methylpyrazol-3-yl)iminohydrazinyl]-1-methylpyrazole-4-carboxamide;4-ethyl-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)diazenyl]-5-methyl-1,2,4-triazol-3-amine;5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)diazenyl]-1,2-oxazol-3-amine;6-methyl-N-[(6-methyl-3-pyridinyl)diazenyl]pyridin-3-amine;3-methyl-N-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]-1,2,4-thiadiazol-5-amine;N-(1,2,5-oxadiazol-3-yldiazenyl)-1,2,5-oxadiazol-3-amine;1-phenyl-N-[(1-phenyltetrazol-5-yl)diazenyl]tetrazol-5-amine;N-(pyridin-3-yldiazenyl)pyridin-3-amine;N-(quinolin-3-yldiazenyl)quinolin-3-amine (CID 158101215) is N-(1,3-benzothiazol-2-yldiazenyl)-1,3-benzothiazol-2-amine;3-[2-(4-carbamoyl-1-methylpyrazol-3-yl)iminohydrazinyl]-1-methylpyrazole-4-carboxamide;4-ethyl-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)diazenyl]-5-methyl-1,2,4-triazol-3-amine;5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)diazenyl]-1,2-oxazol-3-amine;6-methyl-N-[(6-methyl-3-pyridinyl)diazenyl]pyridin-3-amine;3-methyl-N-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]-1,2,4-thiadiazol-5-amine;N-(1,2,5-oxadiazol-3-yldiazenyl)-1,2,5-oxadiazol-3-amine;1-phenyl-N-[(1-phenyltetrazol-5-yl)diazenyl]tetrazol-5-amine;N-(pyridin-3-yldiazenyl)pyridin-3-amine;N-(quinolin-3-yldiazenyl)quinolin-3-amine.

What is the SMILES notation for N-(1,3-benzothiazol-2-yldiazenyl)-1,3-benzothiazol-2-amine;3-[2-(4-carbamoyl-1-methylpyrazol-3-yl)iminohydrazinyl]-1-methylpyrazole-4-carboxamide;4-ethyl-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)diazenyl]-5-methyl-1,2,4-triazol-3-amine;5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)diazenyl]-1,2-oxazol-3-amine;6-methyl-N-[(6-methyl-3-pyridinyl)diazenyl]pyridin-3-amine;3-methyl-N-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]-1,2,4-thiadiazol-5-amine;N-(1,2,5-oxadiazol-3-yldiazenyl)-1,2,5-oxadiazol-3-amine;1-phenyl-N-[(1-phenyltetrazol-5-yl)diazenyl]tetrazol-5-amine;N-(pyridin-3-yldiazenyl)pyridin-3-amine;N-(quinolin-3-yldiazenyl)quinolin-3-amine?

The canonical SMILES for N-(1,3-benzothiazol-2-yldiazenyl)-1,3-benzothiazol-2-amine;3-[2-(4-carbamoyl-1-methylpyrazol-3-yl)iminohydrazinyl]-1-methylpyrazole-4-carboxamide;4-ethyl-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)diazenyl]-5-methyl-1,2,4-triazol-3-amine;5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)diazenyl]-1,2-oxazol-3-amine;6-methyl-N-[(6-methyl-3-pyridinyl)diazenyl]pyridin-3-amine;3-methyl-N-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]-1,2,4-thiadiazol-5-amine;N-(1,2,5-oxadiazol-3-yldiazenyl)-1,2,5-oxadiazol-3-amine;1-phenyl-N-[(1-phenyltetrazol-5-yl)diazenyl]tetrazol-5-amine;N-(pyridin-3-yldiazenyl)pyridin-3-amine;N-(quinolin-3-yldiazenyl)quinolin-3-amine is CCn1c(C)nnc1N=NNc1nnc(C)n1CC.Cc1cc(/N=N/Nc2cc(C)on2)no1.Cc1ccc(/N=N/Nc2ccc(C)nc2)cn1.Cc1nsc(N=NNc2nc(C)ns2)n1.Cn1cc(C(N)=O)c(/N=N/Nc2nn(C)cc2C(N)=O)n1.c1ccc(-n2nnnc2N=NNc2nnnn2-c2ccccc2)cc1.c1ccc2ncc(/N=N/Nc3cnc4ccccc4c3)cc2c1.c1ccc2sc(N=NNc3nc4ccccc4s3)nc2c1.c1cncc(/N=N/Nc2cccnc2)c1.c1nonc1/N=N/Nc1cnon1.

What is the InChIKey of N-(1,3-benzothiazol-2-yldiazenyl)-1,3-benzothiazol-2-amine;3-[2-(4-carbamoyl-1-methylpyrazol-3-yl)iminohydrazinyl]-1-methylpyrazole-4-carboxamide;4-ethyl-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)diazenyl]-5-methyl-1,2,4-triazol-3-amine;5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)diazenyl]-1,2-oxazol-3-amine;6-methyl-N-[(6-methyl-3-pyridinyl)diazenyl]pyridin-3-amine;3-methyl-N-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]-1,2,4-thiadiazol-5-amine;N-(1,2,5-oxadiazol-3-yldiazenyl)-1,2,5-oxadiazol-3-amine;1-phenyl-N-[(1-phenyltetrazol-5-yl)diazenyl]tetrazol-5-amine;N-(pyridin-3-yldiazenyl)pyridin-3-amine;N-(quinolin-3-yldiazenyl)quinolin-3-amine?

The InChIKey is FPGWCHUHXNBLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5.C14H11N11.C14H9N5S2.C12H13N5.C10H13N9O2.C10H17N9.C10H9N5.C8H9N5O2.C6H7N7S2.C4H3N7O2/c1-3-7-17-13(5-1)9-15(11-19-17)21-23-22-16-10-14-6-2-4-8-18(14)20-12-16;1-3-7-11(8-4-1)24-13(17-20-22-24)15-19-16-14-18-21-23-25(14)12-9-5-2-6-10-12;1-3-7-11-9(5-1)15-13(20-11)17-19-18-14-16-10-6-2-4-8-12(10)21-14;1-9-3-5-11(7-13-9)15-17-16-12-6-4-10(2)14-8-12;1-18-3-5(7(11)20)9(15-18)13-17-14-10-6(8(12)21)4-19(2)16-10;1-5-18-7(3)11-13-9(18)15-17-16-10-14-12-8(4)19(10)6-2;1-3-9(7-11-5-1)13-15-14-10-4-2-6-12-8-10;1-5-3-7(11-14-5)9-13-10-8-4-6(2)15-12-8;1-3-7-5(14-11-3)9-13-10-6-8-4(2)12-15-6;1-3(9-12-5-1)7-11-8-4-2-6-13-10-4/h1-12H,(H,21,22);1-10H,(H,15,16,17,18,22,23);1-8H,(H,15,16,17,18);3-8H,1-2H3,(H,15,16);3-4H,1-2H3,(H2,11,20)(H2,12,21)(H,13,14,15,16);5-6H2,1-4H3,(H,13,14,15,16);1-8H,(H,13,14);3-4H,1-2H3,(H,9,10,11,12);1-2H3,(H,7,8,9,10,11,12);1-2H,(H,7,8,9,10).

What are the key properties of N-(1,3-benzothiazol-2-yldiazenyl)-1,3-benzothiazol-2-amine;3-[2-(4-carbamoyl-1-methylpyrazol-3-yl)iminohydrazinyl]-1-methylpyrazole-4-carboxamide;4-ethyl-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)diazenyl]-5-methyl-1,2,4-triazol-3-amine;5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)diazenyl]-1,2-oxazol-3-amine;6-methyl-N-[(6-methyl-3-pyridinyl)diazenyl]pyridin-3-amine;3-methyl-N-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]-1,2,4-thiadiazol-5-amine;N-(1,2,5-oxadiazol-3-yldiazenyl)-1,2,5-oxadiazol-3-amine;1-phenyl-N-[(1-phenyltetrazol-5-yl)diazenyl]tetrazol-5-amine;N-(pyridin-3-yldiazenyl)pyridin-3-amine;N-(quinolin-3-yldiazenyl)quinolin-3-amine?

N-(1,3-benzothiazol-2-yldiazenyl)-1,3-benzothiazol-2-amine;3-[2-(4-carbamoyl-1-methylpyrazol-3-yl)iminohydrazinyl]-1-methylpyrazole-4-carboxamide;4-ethyl-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)diazenyl]-5-methyl-1,2,4-triazol-3-amine;5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)diazenyl]-1,2-oxazol-3-amine;6-methyl-N-[(6-methyl-3-pyridinyl)diazenyl]pyridin-3-amine;3-methyl-N-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]-1,2,4-thiadiazol-5-amine;N-(1,2,5-oxadiazol-3-yldiazenyl)-1,2,5-oxadiazol-3-amine;1-phenyl-N-[(1-phenyltetrazol-5-yl)diazenyl]tetrazol-5-amine;N-(pyridin-3-yldiazenyl)pyridin-3-amine;N-(quinolin-3-yldiazenyl)quinolin-3-amine has a molecular weight of 2554.74 g/mol, XLogP of 23.62, 36 rotatable bonds, 12 hydrogen bond donors, and 66 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzothiazol-2-yldiazenyl)-1,3-benzothiazol-2-amine;3-[2-(4-carbamoyl-1-methylpyrazol-3-yl)iminohydrazinyl]-1-methylpyrazole-4-carboxamide;4-ethyl-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)diazenyl]-5-methyl-1,2,4-triazol-3-amine;5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)diazenyl]-1,2-oxazol-3-amine;6-methyl-N-[(6-methyl-3-pyridinyl)diazenyl]pyridin-3-amine;3-methyl-N-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]-1,2,4-thiadiazol-5-amine;N-(1,2,5-oxadiazol-3-yldiazenyl)-1,2,5-oxadiazol-3-amine;1-phenyl-N-[(1-phenyltetrazol-5-yl)diazenyl]tetrazol-5-amine;N-(pyridin-3-yldiazenyl)pyridin-3-amine;N-(quinolin-3-yldiazenyl)quinolin-3-amine is sourced from PubChem (CID 158101215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).