1-N-(5-cinnolin-6-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;6-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]-2H-isoquinolin-1-one;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-(5-phthalazin-6-yl-1,3-oxazol-2-yl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-(5-quinazolin-7-yl-1,3-oxazol-2-yl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-(5-quinoxalin-6-yl-1,3-oxazol-2-yl)benzene-1,3-diamine

C96H86N24O11S5 — CID 157095144

About 1-N-(5-cinnolin-6-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;6-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]-2H-isoquinolin-1-one;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-(5-phthalazin-6-yl-1,3-oxazol-2-yl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-(5-quinazolin-7-yl-1,3-oxazol-2-yl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-(5-quinoxalin-6-yl-1,3-oxazol-2-yl)benzene-1,3-diamine

1-N-(5-cinnolin-6-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;6-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]-2H-isoquinolin-1-one;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-(5-phthalazin-6-yl-1,3-oxazol-2-yl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-(5-quinazolin-7-yl-1,3-oxazol-2-yl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-(5-quinoxalin-6-yl-1,3-oxazol-2-yl)benzene-1,3-diamine (PubChem CID 157095144) has the molecular formula C96H86N24O11S5 and a molecular weight of 1912.24 g/mol. Its IUPAC name is 1-N-(5-cinnolin-6-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;6-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]-2H-isoquinolin-1-one;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-(5-phthalazin-6-yl-1,3-oxazol-2-yl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-(5-quinazolin-7-yl-1,3-oxazol-2-yl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-(5-quinoxalin-6-yl-1,3-oxazol-2-yl)benzene-1,3-diamine.

Molecular Properties

• Compound Name: 1-N-(5-cinnolin-6-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;6-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]-2H-isoquinolin-1-one;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-(5-phthalazin-6-yl-1,3-oxazol-2-yl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-(5-quinazolin-7-yl-1,3-oxazol-2-yl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-(5-quinoxalin-6-yl-1,3-oxazol-2-yl)benzene-1,3-diamine
• PubChem CID: 157095144
• Molecular Formula: C96H86N24O11S5
• Molecular Weight: 1912.24 g/mol
• Exact Mass: 1910.55
• IUPAC Name: 1-N-(5-cinnolin-6-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;6-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]-2H-isoquinolin-1-one;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-(5-phthalazin-6-yl-1,3-oxazol-2-yl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-(5-quinazolin-7-yl-1,3-oxazol-2-yl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-(5-quinoxalin-6-yl-1,3-oxazol-2-yl)benzene-1,3-diamine
• SMILES: C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc4c(=O)[nH]ccc4c3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc4cncnc4c3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc4cnncc4c3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc4nccnc4c3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc4nnccc4c3)o2)c1
• InChI: InChI=1S/C20H18N4O3S.4C19H17N5O2S/c1-28(2,26)24-16-5-3-4-15(11-16)23-20-22-12-18(27-20)14-6-7-17-13(10-14)8-9-21-19(17)25;1-27(2,25)24-17-5-3-4-16(9-17)23-19-20-12-18(26-19)13-6-7-14-10-21-22-11-15(14)8-13;1-27(2,25)24-16-5-3-4-15(9-16)23-19-21-11-18(26-19)13-6-7-14-10-20-12-22-17(14)8-13;1-27(2,25)24-16-5-3-4-15(11-16)22-19-20-12-18(26-19)14-6-7-17-13(10-14)8-9-21-23-17;1-27(2,25)24-15-5-3-4-14(11-15)23-19-22-12-18(26-19)13-6-7-16-17(10-13)21-9-8-20-16/h3-12H,1H2,2H3,(H,21,25)(H,22,23)(H,24,26);3-12H,1H2,2H3,(H,20,23)(H,24,25);3-12H,1H2,2H3,(H,21,23)(H,24,25);3-12H,1H2,2H3,(H,20,22)(H,24,25);3-12H,1H2,2H3,(H,22,23)(H,24,25)
• InChIKey: AFCVAZWRYSFBFH-UHFFFAOYSA-N
• XLogP: 18.41
• TPSA: 471.78 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 29
• Rotatable Bonds: 25
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1912.24
LogP ≤ 5	18.41
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-cinnolin-6-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;6-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]-2H-isoquinolin-1-one;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-(5-phthalazin-6-yl-1,3-oxazol-2-yl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-(5-quinazolin-7-yl-1,3-oxazol-2-yl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-(5-quinoxalin-6-yl-1,3-oxazol-2-yl)benzene-1,3-diamine?

The IUPAC name of 1-N-(5-cinnolin-6-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;6-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]-2H-isoquinolin-1-one;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-(5-phthalazin-6-yl-1,3-oxazol-2-yl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-(5-quinazolin-7-yl-1,3-oxazol-2-yl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-(5-quinoxalin-6-yl-1,3-oxazol-2-yl)benzene-1,3-diamine (CID 157095144) is 1-N-(5-cinnolin-6-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;6-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]-2H-isoquinolin-1-one;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-(5-phthalazin-6-yl-1,3-oxazol-2-yl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-(5-quinazolin-7-yl-1,3-oxazol-2-yl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-(5-quinoxalin-6-yl-1,3-oxazol-2-yl)benzene-1,3-diamine.

What is the SMILES notation for 1-N-(5-cinnolin-6-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;6-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]-2H-isoquinolin-1-one;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-(5-phthalazin-6-yl-1,3-oxazol-2-yl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-(5-quinazolin-7-yl-1,3-oxazol-2-yl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-(5-quinoxalin-6-yl-1,3-oxazol-2-yl)benzene-1,3-diamine?

The canonical SMILES for 1-N-(5-cinnolin-6-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;6-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]-2H-isoquinolin-1-one;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-(5-phthalazin-6-yl-1,3-oxazol-2-yl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-(5-quinazolin-7-yl-1,3-oxazol-2-yl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-(5-quinoxalin-6-yl-1,3-oxazol-2-yl)benzene-1,3-diamine is C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc4c(=O)[nH]ccc4c3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc4cncnc4c3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc4cnncc4c3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc4nccnc4c3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc4nnccc4c3)o2)c1.

What is the InChIKey of 1-N-(5-cinnolin-6-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;6-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]-2H-isoquinolin-1-one;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-(5-phthalazin-6-yl-1,3-oxazol-2-yl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-(5-quinazolin-7-yl-1,3-oxazol-2-yl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-(5-quinoxalin-6-yl-1,3-oxazol-2-yl)benzene-1,3-diamine?

The InChIKey is AFCVAZWRYSFBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S.4C19H17N5O2S/c1-28(2,26)24-16-5-3-4-15(11-16)23-20-22-12-18(27-20)14-6-7-17-13(10-14)8-9-21-19(17)25;1-27(2,25)24-17-5-3-4-16(9-17)23-19-20-12-18(26-19)13-6-7-14-10-21-22-11-15(14)8-13;1-27(2,25)24-16-5-3-4-15(9-16)23-19-21-11-18(26-19)13-6-7-14-10-20-12-22-17(14)8-13;1-27(2,25)24-16-5-3-4-15(11-16)22-19-20-12-18(26-19)14-6-7-17-13(10-14)8-9-21-23-17;1-27(2,25)24-15-5-3-4-14(11-15)23-19-22-12-18(26-19)13-6-7-16-17(10-13)21-9-8-20-16/h3-12H,1H2,2H3,(H,21,25)(H,22,23)(H,24,26);3-12H,1H2,2H3,(H,20,23)(H,24,25);3-12H,1H2,2H3,(H,21,23)(H,24,25);3-12H,1H2,2H3,(H,20,22)(H,24,25);3-12H,1H2,2H3,(H,22,23)(H,24,25).

What are the key properties of 1-N-(5-cinnolin-6-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;6-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]-2H-isoquinolin-1-one;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-(5-phthalazin-6-yl-1,3-oxazol-2-yl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-(5-quinazolin-7-yl-1,3-oxazol-2-yl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-(5-quinoxalin-6-yl-1,3-oxazol-2-yl)benzene-1,3-diamine?

1-N-(5-cinnolin-6-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;6-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]-2H-isoquinolin-1-one;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-(5-phthalazin-6-yl-1,3-oxazol-2-yl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-(5-quinazolin-7-yl-1,3-oxazol-2-yl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-(5-quinoxalin-6-yl-1,3-oxazol-2-yl)benzene-1,3-diamine has a molecular weight of 1912.24 g/mol, XLogP of 18.41, 25 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-(5-cinnolin-6-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;6-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]-2H-isoquinolin-1-one;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-(5-phthalazin-6-yl-1,3-oxazol-2-yl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-(5-quinazolin-7-yl-1,3-oxazol-2-yl)benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-(5-quinoxalin-6-yl-1,3-oxazol-2-yl)benzene-1,3-diamine is sourced from PubChem (CID 157095144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).