8-(3,5-dimethylanilino)-[1,3]thiazolo[5,4-h]quinazoline-2-carboxylic acid;N-(3,5-dimethylphenyl)-2-methyl-[1,3]thiazolo[4,5-h]quinazolin-8-amine;3-[(2-methyl-[1,3]thiazolo[5,4-h]quinazolin-8-yl)amino]benzenesulfonamide;N-[3-[(2-methyl-[1,3]thiazolo[5,4-h]quinazolin-8-yl)amino]phenyl]acetamide;8-(3-sulfamoylanilino)-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid

C86H69N23O9S7 — CID 157113094

About 8-(3,5-dimethylanilino)-[1,3]thiazolo[5,4-h]quinazoline-2-carboxylic acid;N-(3,5-dimethylphenyl)-2-methyl-[1,3]thiazolo[4,5-h]quinazolin-8-amine;3-[(2-methyl-[1,3]thiazolo[5,4-h]quinazolin-8-yl)amino]benzenesulfonamide;N-[3-[(2-methyl-[1,3]thiazolo[5,4-h]quinazolin-8-yl)amino]phenyl]acetamide;8-(3-sulfamoylanilino)-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid

8-(3,5-dimethylanilino)-[1,3]thiazolo[5,4-h]quinazoline-2-carboxylic acid;N-(3,5-dimethylphenyl)-2-methyl-[1,3]thiazolo[4,5-h]quinazolin-8-amine;3-[(2-methyl-[1,3]thiazolo[5,4-h]quinazolin-8-yl)amino]benzenesulfonamide;N-[3-[(2-methyl-[1,3]thiazolo[5,4-h]quinazolin-8-yl)amino]phenyl]acetamide;8-(3-sulfamoylanilino)-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid (PubChem CID 157113094) has the molecular formula C86H69N23O9S7 and a molecular weight of 1793.12 g/mol. Its IUPAC name is 8-(3,5-dimethylanilino)-[1,3]thiazolo[5,4-h]quinazoline-2-carboxylic acid;N-(3,5-dimethylphenyl)-2-methyl-[1,3]thiazolo[4,5-h]quinazolin-8-amine;3-[(2-methyl-[1,3]thiazolo[5,4-h]quinazolin-8-yl)amino]benzenesulfonamide;N-[3-[(2-methyl-[1,3]thiazolo[5,4-h]quinazolin-8-yl)amino]phenyl]acetamide;8-(3-sulfamoylanilino)-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid.

Molecular Properties

• Compound Name: 8-(3,5-dimethylanilino)-[1,3]thiazolo[5,4-h]quinazoline-2-carboxylic acid;N-(3,5-dimethylphenyl)-2-methyl-[1,3]thiazolo[4,5-h]quinazolin-8-amine;3-[(2-methyl-[1,3]thiazolo[5,4-h]quinazolin-8-yl)amino]benzenesulfonamide;N-[3-[(2-methyl-[1,3]thiazolo[5,4-h]quinazolin-8-yl)amino]phenyl]acetamide;8-(3-sulfamoylanilino)-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid
• PubChem CID: 157113094
• Molecular Formula: C86H69N23O9S7
• Molecular Weight: 1793.12 g/mol
• Exact Mass: 1791.37
• IUPAC Name: 8-(3,5-dimethylanilino)-[1,3]thiazolo[5,4-h]quinazoline-2-carboxylic acid;N-(3,5-dimethylphenyl)-2-methyl-[1,3]thiazolo[4,5-h]quinazolin-8-amine;3-[(2-methyl-[1,3]thiazolo[5,4-h]quinazolin-8-yl)amino]benzenesulfonamide;N-[3-[(2-methyl-[1,3]thiazolo[5,4-h]quinazolin-8-yl)amino]phenyl]acetamide;8-(3-sulfamoylanilino)-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid
• SMILES: CC(=O)Nc1cccc(Nc2ncc3ccc4sc(C)nc4c3n2)c1.Cc1cc(C)cc(Nc2ncc3ccc4nc(C)sc4c3n2)c1.Cc1cc(C)cc(Nc2ncc3ccc4sc(C(=O)O)nc4c3n2)c1.Cc1nc2c(ccc3cnc(Nc4cccc(S(N)(=O)=O)c4)nc32)s1.NS(=O)(=O)c1cccc(Nc2ncc3ccc4nc(C(=O)O)sc4c3n2)c1
• InChI: InChI=1S/C18H15N5OS.C18H14N4O2S.C18H16N4S.C16H11N5O4S2.C16H13N5O2S2/c1-10(24)20-13-4-3-5-14(8-13)22-18-19-9-12-6-7-15-17(16(12)23-18)21-11(2)25-15;1-9-5-10(2)7-12(6-9)20-18-19-8-11-3-4-13-15(14(11)22-18)21-16(25-13)17(23)24;1-10-6-11(2)8-14(7-10)21-18-19-9-13-4-5-15-17(16(13)22-18)23-12(3)20-15;17-27(24,25)10-3-1-2-9(6-10)19-16-18-7-8-4-5-11-13(12(8)21-16)26-14(20-11)15(22)23;1-9-19-15-13(24-9)6-5-10-8-18-16(21-14(10)15)20-11-3-2-4-12(7-11)25(17,22)23/h3-9H,1-2H3,(H,20,24)(H,19,22,23);3-8H,1-2H3,(H,23,24)(H,19,20,22);4-9H,1-3H3,(H,19,21,22);1-7H,(H,22,23)(H2,17,24,25)(H,18,19,21);2-8H,1H3,(H2,17,22,23)(H,18,20,21)
• InChIKey: AHBQXVXYCTZBFQ-UHFFFAOYSA-N
• XLogP: 18.72
• TPSA: 477.52 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 32
• Rotatable Bonds: 15
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1793.12
LogP ≤ 5	18.72
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 8-(3,5-dimethylanilino)-[1,3]thiazolo[5,4-h]quinazoline-2-carboxylic acid;N-(3,5-dimethylphenyl)-2-methyl-[1,3]thiazolo[4,5-h]quinazolin-8-amine;3-[(2-methyl-[1,3]thiazolo[5,4-h]quinazolin-8-yl)amino]benzenesulfonamide;N-[3-[(2-methyl-[1,3]thiazolo[5,4-h]quinazolin-8-yl)amino]phenyl]acetamide;8-(3-sulfamoylanilino)-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid?

The IUPAC name of 8-(3,5-dimethylanilino)-[1,3]thiazolo[5,4-h]quinazoline-2-carboxylic acid;N-(3,5-dimethylphenyl)-2-methyl-[1,3]thiazolo[4,5-h]quinazolin-8-amine;3-[(2-methyl-[1,3]thiazolo[5,4-h]quinazolin-8-yl)amino]benzenesulfonamide;N-[3-[(2-methyl-[1,3]thiazolo[5,4-h]quinazolin-8-yl)amino]phenyl]acetamide;8-(3-sulfamoylanilino)-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid (CID 157113094) is 8-(3,5-dimethylanilino)-[1,3]thiazolo[5,4-h]quinazoline-2-carboxylic acid;N-(3,5-dimethylphenyl)-2-methyl-[1,3]thiazolo[4,5-h]quinazolin-8-amine;3-[(2-methyl-[1,3]thiazolo[5,4-h]quinazolin-8-yl)amino]benzenesulfonamide;N-[3-[(2-methyl-[1,3]thiazolo[5,4-h]quinazolin-8-yl)amino]phenyl]acetamide;8-(3-sulfamoylanilino)-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid.

What is the SMILES notation for 8-(3,5-dimethylanilino)-[1,3]thiazolo[5,4-h]quinazoline-2-carboxylic acid;N-(3,5-dimethylphenyl)-2-methyl-[1,3]thiazolo[4,5-h]quinazolin-8-amine;3-[(2-methyl-[1,3]thiazolo[5,4-h]quinazolin-8-yl)amino]benzenesulfonamide;N-[3-[(2-methyl-[1,3]thiazolo[5,4-h]quinazolin-8-yl)amino]phenyl]acetamide;8-(3-sulfamoylanilino)-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid?

The canonical SMILES for 8-(3,5-dimethylanilino)-[1,3]thiazolo[5,4-h]quinazoline-2-carboxylic acid;N-(3,5-dimethylphenyl)-2-methyl-[1,3]thiazolo[4,5-h]quinazolin-8-amine;3-[(2-methyl-[1,3]thiazolo[5,4-h]quinazolin-8-yl)amino]benzenesulfonamide;N-[3-[(2-methyl-[1,3]thiazolo[5,4-h]quinazolin-8-yl)amino]phenyl]acetamide;8-(3-sulfamoylanilino)-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid is CC(=O)Nc1cccc(Nc2ncc3ccc4sc(C)nc4c3n2)c1.Cc1cc(C)cc(Nc2ncc3ccc4nc(C)sc4c3n2)c1.Cc1cc(C)cc(Nc2ncc3ccc4sc(C(=O)O)nc4c3n2)c1.Cc1nc2c(ccc3cnc(Nc4cccc(S(N)(=O)=O)c4)nc32)s1.NS(=O)(=O)c1cccc(Nc2ncc3ccc4nc(C(=O)O)sc4c3n2)c1.

What is the InChIKey of 8-(3,5-dimethylanilino)-[1,3]thiazolo[5,4-h]quinazoline-2-carboxylic acid;N-(3,5-dimethylphenyl)-2-methyl-[1,3]thiazolo[4,5-h]quinazolin-8-amine;3-[(2-methyl-[1,3]thiazolo[5,4-h]quinazolin-8-yl)amino]benzenesulfonamide;N-[3-[(2-methyl-[1,3]thiazolo[5,4-h]quinazolin-8-yl)amino]phenyl]acetamide;8-(3-sulfamoylanilino)-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid?

The InChIKey is AHBQXVXYCTZBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS.C18H14N4O2S.C18H16N4S.C16H11N5O4S2.C16H13N5O2S2/c1-10(24)20-13-4-3-5-14(8-13)22-18-19-9-12-6-7-15-17(16(12)23-18)21-11(2)25-15;1-9-5-10(2)7-12(6-9)20-18-19-8-11-3-4-13-15(14(11)22-18)21-16(25-13)17(23)24;1-10-6-11(2)8-14(7-10)21-18-19-9-13-4-5-15-17(16(13)22-18)23-12(3)20-15;17-27(24,25)10-3-1-2-9(6-10)19-16-18-7-8-4-5-11-13(12(8)21-16)26-14(20-11)15(22)23;1-9-19-15-13(24-9)6-5-10-8-18-16(21-14(10)15)20-11-3-2-4-12(7-11)25(17,22)23/h3-9H,1-2H3,(H,20,24)(H,19,22,23);3-8H,1-2H3,(H,23,24)(H,19,20,22);4-9H,1-3H3,(H,19,21,22);1-7H,(H,22,23)(H2,17,24,25)(H,18,19,21);2-8H,1H3,(H2,17,22,23)(H,18,20,21).

What are the key properties of 8-(3,5-dimethylanilino)-[1,3]thiazolo[5,4-h]quinazoline-2-carboxylic acid;N-(3,5-dimethylphenyl)-2-methyl-[1,3]thiazolo[4,5-h]quinazolin-8-amine;3-[(2-methyl-[1,3]thiazolo[5,4-h]quinazolin-8-yl)amino]benzenesulfonamide;N-[3-[(2-methyl-[1,3]thiazolo[5,4-h]quinazolin-8-yl)amino]phenyl]acetamide;8-(3-sulfamoylanilino)-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid?

8-(3,5-dimethylanilino)-[1,3]thiazolo[5,4-h]quinazoline-2-carboxylic acid;N-(3,5-dimethylphenyl)-2-methyl-[1,3]thiazolo[4,5-h]quinazolin-8-amine;3-[(2-methyl-[1,3]thiazolo[5,4-h]quinazolin-8-yl)amino]benzenesulfonamide;N-[3-[(2-methyl-[1,3]thiazolo[5,4-h]quinazolin-8-yl)amino]phenyl]acetamide;8-(3-sulfamoylanilino)-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid has a molecular weight of 1793.12 g/mol, XLogP of 18.72, 15 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(3,5-dimethylanilino)-[1,3]thiazolo[5,4-h]quinazoline-2-carboxylic acid;N-(3,5-dimethylphenyl)-2-methyl-[1,3]thiazolo[4,5-h]quinazolin-8-amine;3-[(2-methyl-[1,3]thiazolo[5,4-h]quinazolin-8-yl)amino]benzenesulfonamide;N-[3-[(2-methyl-[1,3]thiazolo[5,4-h]quinazolin-8-yl)amino]phenyl]acetamide;8-(3-sulfamoylanilino)-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid is sourced from PubChem (CID 157113094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).