N-(3,5-dimethylphenyl)thieno[2,3-h]quinazolin-2-amine;3-(5,8-dithia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-ylamino)benzenesulfonamide;3-(thieno[2,3-h]quinazolin-2-ylamino)benzenesulfonamide;N-[3-(thieno[2,3-h]quinazolin-2-ylamino)phenyl]acetamide;3-N-thieno[2,3-h]quinazolin-2-ylbenzene-1,3-diamine

C83H65N19O5S8 — CID 157410741

About N-(3,5-dimethylphenyl)thieno[2,3-h]quinazolin-2-amine;3-(5,8-dithia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-ylamino)benzenesulfonamide;3-(thieno[2,3-h]quinazolin-2-ylamino)benzenesulfonamide;N-[3-(thieno[2,3-h]quinazolin-2-ylamino)phenyl]acetamide;3-N-thieno[2,3-h]quinazolin-2-ylbenzene-1,3-diamine

N-(3,5-dimethylphenyl)thieno[2,3-h]quinazolin-2-amine;3-(5,8-dithia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-ylamino)benzenesulfonamide;3-(thieno[2,3-h]quinazolin-2-ylamino)benzenesulfonamide;N-[3-(thieno[2,3-h]quinazolin-2-ylamino)phenyl]acetamide;3-N-thieno[2,3-h]quinazolin-2-ylbenzene-1,3-diamine (PubChem CID 157410741) has the molecular formula C83H65N19O5S8 and a molecular weight of 1665.10 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)thieno[2,3-h]quinazolin-2-amine;3-(5,8-dithia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-ylamino)benzenesulfonamide;3-(thieno[2,3-h]quinazolin-2-ylamino)benzenesulfonamide;N-[3-(thieno[2,3-h]quinazolin-2-ylamino)phenyl]acetamide;3-N-thieno[2,3-h]quinazolin-2-ylbenzene-1,3-diamine.

Molecular Properties

• Compound Name: N-(3,5-dimethylphenyl)thieno[2,3-h]quinazolin-2-amine;3-(5,8-dithia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-ylamino)benzenesulfonamide;3-(thieno[2,3-h]quinazolin-2-ylamino)benzenesulfonamide;N-[3-(thieno[2,3-h]quinazolin-2-ylamino)phenyl]acetamide;3-N-thieno[2,3-h]quinazolin-2-ylbenzene-1,3-diamine
• PubChem CID: 157410741
• Molecular Formula: C83H65N19O5S8
• Molecular Weight: 1665.10 g/mol
• Exact Mass: 1663.32
• IUPAC Name: N-(3,5-dimethylphenyl)thieno[2,3-h]quinazolin-2-amine;3-(5,8-dithia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-ylamino)benzenesulfonamide;3-(thieno[2,3-h]quinazolin-2-ylamino)benzenesulfonamide;N-[3-(thieno[2,3-h]quinazolin-2-ylamino)phenyl]acetamide;3-N-thieno[2,3-h]quinazolin-2-ylbenzene-1,3-diamine
• SMILES: CC(=O)Nc1cccc(Nc2ncc3ccc4sccc4c3n2)c1.Cc1cc(C)cc(Nc2ncc3ccc4sccc4c3n2)c1.NS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2ccsc2CS3)c1.NS(=O)(=O)c1cccc(Nc2ncc3ccc4sccc4c3n2)c1.Nc1cccc(Nc2ncc3ccc4sccc4c3n2)c1
• InChI: InChI=1S/C18H14N4OS.C18H15N3S.C16H12N4O2S2.C16H12N4S.C15H12N4O2S3/c1-11(23)20-13-3-2-4-14(9-13)21-18-19-10-12-5-6-16-15(7-8-24-16)17(12)22-18;1-11-7-12(2)9-14(8-11)20-18-19-10-13-3-4-16-15(5-6-22-16)17(13)21-18;17-24(21,22)12-3-1-2-11(8-12)19-16-18-9-10-4-5-14-13(6-7-23-14)15(10)20-16;17-11-2-1-3-12(8-11)19-16-18-9-10-4-5-14-13(6-7-21-14)15(10)20-16;16-24(20,21)10-3-1-2-9(6-10)18-15-17-7-12-14(19-15)11-4-5-22-13(11)8-23-12/h2-10H,1H3,(H,20,23)(H,19,21,22);3-10H,1-2H3,(H,19,20,21);1-9H,(H2,17,21,22)(H,18,19,20);1-9H,17H2,(H,18,19,20);1-7H,8H2,(H2,16,20,21)(H,17,18,19)
• InChIKey: BOGKFLWIDIHHCE-UHFFFAOYSA-N
• XLogP: 20.36
• TPSA: 364.49 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 27
• Rotatable Bonds: 13
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1665.10
LogP ≤ 5	20.36
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)thieno[2,3-h]quinazolin-2-amine;3-(5,8-dithia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-ylamino)benzenesulfonamide;3-(thieno[2,3-h]quinazolin-2-ylamino)benzenesulfonamide;N-[3-(thieno[2,3-h]quinazolin-2-ylamino)phenyl]acetamide;3-N-thieno[2,3-h]quinazolin-2-ylbenzene-1,3-diamine?

The IUPAC name of N-(3,5-dimethylphenyl)thieno[2,3-h]quinazolin-2-amine;3-(5,8-dithia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-ylamino)benzenesulfonamide;3-(thieno[2,3-h]quinazolin-2-ylamino)benzenesulfonamide;N-[3-(thieno[2,3-h]quinazolin-2-ylamino)phenyl]acetamide;3-N-thieno[2,3-h]quinazolin-2-ylbenzene-1,3-diamine (CID 157410741) is N-(3,5-dimethylphenyl)thieno[2,3-h]quinazolin-2-amine;3-(5,8-dithia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-ylamino)benzenesulfonamide;3-(thieno[2,3-h]quinazolin-2-ylamino)benzenesulfonamide;N-[3-(thieno[2,3-h]quinazolin-2-ylamino)phenyl]acetamide;3-N-thieno[2,3-h]quinazolin-2-ylbenzene-1,3-diamine.

What is the SMILES notation for N-(3,5-dimethylphenyl)thieno[2,3-h]quinazolin-2-amine;3-(5,8-dithia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-ylamino)benzenesulfonamide;3-(thieno[2,3-h]quinazolin-2-ylamino)benzenesulfonamide;N-[3-(thieno[2,3-h]quinazolin-2-ylamino)phenyl]acetamide;3-N-thieno[2,3-h]quinazolin-2-ylbenzene-1,3-diamine?

The canonical SMILES for N-(3,5-dimethylphenyl)thieno[2,3-h]quinazolin-2-amine;3-(5,8-dithia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-ylamino)benzenesulfonamide;3-(thieno[2,3-h]quinazolin-2-ylamino)benzenesulfonamide;N-[3-(thieno[2,3-h]quinazolin-2-ylamino)phenyl]acetamide;3-N-thieno[2,3-h]quinazolin-2-ylbenzene-1,3-diamine is CC(=O)Nc1cccc(Nc2ncc3ccc4sccc4c3n2)c1.Cc1cc(C)cc(Nc2ncc3ccc4sccc4c3n2)c1.NS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2ccsc2CS3)c1.NS(=O)(=O)c1cccc(Nc2ncc3ccc4sccc4c3n2)c1.Nc1cccc(Nc2ncc3ccc4sccc4c3n2)c1.

What is the InChIKey of N-(3,5-dimethylphenyl)thieno[2,3-h]quinazolin-2-amine;3-(5,8-dithia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-ylamino)benzenesulfonamide;3-(thieno[2,3-h]quinazolin-2-ylamino)benzenesulfonamide;N-[3-(thieno[2,3-h]quinazolin-2-ylamino)phenyl]acetamide;3-N-thieno[2,3-h]quinazolin-2-ylbenzene-1,3-diamine?

The InChIKey is BOGKFLWIDIHHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS.C18H15N3S.C16H12N4O2S2.C16H12N4S.C15H12N4O2S3/c1-11(23)20-13-3-2-4-14(9-13)21-18-19-10-12-5-6-16-15(7-8-24-16)17(12)22-18;1-11-7-12(2)9-14(8-11)20-18-19-10-13-3-4-16-15(5-6-22-16)17(13)21-18;17-24(21,22)12-3-1-2-11(8-12)19-16-18-9-10-4-5-14-13(6-7-23-14)15(10)20-16;17-11-2-1-3-12(8-11)19-16-18-9-10-4-5-14-13(6-7-21-14)15(10)20-16;16-24(20,21)10-3-1-2-9(6-10)18-15-17-7-12-14(19-15)11-4-5-22-13(11)8-23-12/h2-10H,1H3,(H,20,23)(H,19,21,22);3-10H,1-2H3,(H,19,20,21);1-9H,(H2,17,21,22)(H,18,19,20);1-9H,17H2,(H,18,19,20);1-7H,8H2,(H2,16,20,21)(H,17,18,19).

What are the key properties of N-(3,5-dimethylphenyl)thieno[2,3-h]quinazolin-2-amine;3-(5,8-dithia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-ylamino)benzenesulfonamide;3-(thieno[2,3-h]quinazolin-2-ylamino)benzenesulfonamide;N-[3-(thieno[2,3-h]quinazolin-2-ylamino)phenyl]acetamide;3-N-thieno[2,3-h]quinazolin-2-ylbenzene-1,3-diamine?

N-(3,5-dimethylphenyl)thieno[2,3-h]quinazolin-2-amine;3-(5,8-dithia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-ylamino)benzenesulfonamide;3-(thieno[2,3-h]quinazolin-2-ylamino)benzenesulfonamide;N-[3-(thieno[2,3-h]quinazolin-2-ylamino)phenyl]acetamide;3-N-thieno[2,3-h]quinazolin-2-ylbenzene-1,3-diamine has a molecular weight of 1665.10 g/mol, XLogP of 20.36, 13 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dimethylphenyl)thieno[2,3-h]quinazolin-2-amine;3-(5,8-dithia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-ylamino)benzenesulfonamide;3-(thieno[2,3-h]quinazolin-2-ylamino)benzenesulfonamide;N-[3-(thieno[2,3-h]quinazolin-2-ylamino)phenyl]acetamide;3-N-thieno[2,3-h]quinazolin-2-ylbenzene-1,3-diamine is sourced from PubChem (CID 157410741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).