3-[[2-(diethylamino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;3-[[2-(diethylamino)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;3-[(2-morpholin-4-yl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide;3-[(2-piperidin-1-yl-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide;[8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]methyl 2,2-dimethylpropanoate

C98H105N29O13S10 — CID 158437104

About 3-[[2-(diethylamino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;3-[[2-(diethylamino)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;3-[(2-morpholin-4-yl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide;3-[(2-piperidin-1-yl-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide;[8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]methyl 2,2-dimethylpropanoate

3-[[2-(diethylamino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;3-[[2-(diethylamino)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;3-[(2-morpholin-4-yl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide;3-[(2-piperidin-1-yl-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide;[8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]methyl 2,2-dimethylpropanoate (PubChem CID 158437104) has the molecular formula C98H105N29O13S10 and a molecular weight of 2217.78 g/mol. Its IUPAC name is 3-[[2-(diethylamino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;3-[[2-(diethylamino)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;3-[(2-morpholin-4-yl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide;3-[(2-piperidin-1-yl-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide;[8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: 3-[[2-(diethylamino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;3-[[2-(diethylamino)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;3-[(2-morpholin-4-yl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide;3-[(2-piperidin-1-yl-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide;[8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]methyl 2,2-dimethylpropanoate
• PubChem CID: 158437104
• Molecular Formula: C98H105N29O13S10
• Molecular Weight: 2217.78 g/mol
• Exact Mass: 2215.57
• IUPAC Name: 3-[[2-(diethylamino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;3-[[2-(diethylamino)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;3-[(2-morpholin-4-yl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide;3-[(2-piperidin-1-yl-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide;[8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]methyl 2,2-dimethylpropanoate
• SMILES: CC(C)(C)C(=O)OCc1nc2c(s1)-c1nc(Nc3cccc(S(N)(=O)=O)c3)ncc1CC2.CCN(CC)c1nc2c(s1)-c1nc(Nc3cccc(S(N)(=O)=O)c3)ncc1CC2.CCN(CC)c1nc2ccc3cnc(Nc4cccc(S(N)(=O)=O)c4)nc3c2s1.NS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2sc(N4CCOCC4)nc2CC3)c1.NS(=O)(=O)c1cccc(Nc2ncc3ccc4nc(N5CCCCC5)sc4c3n2)c1
• InChI: InChI=1S/C21H23N5O4S2.C20H20N6O2S2.C19H20N6O3S2.C19H22N6O2S2.C19H20N6O2S2/c1-21(2,3)19(27)30-11-16-25-15-8-7-12-10-23-20(26-17(12)18(15)31-16)24-13-5-4-6-14(9-13)32(22,28)29;21-30(27,28)15-6-4-5-14(11-15)23-19-22-12-13-7-8-16-18(17(13)25-19)29-20(24-16)26-9-2-1-3-10-26;20-30(26,27)14-3-1-2-13(10-14)22-18-21-11-12-4-5-15-17(16(12)24-18)29-19(23-15)25-6-8-28-9-7-25;2*1-3-25(4-2)19-23-15-9-8-12-11-21-18(24-16(12)17(15)28-19)22-13-6-5-7-14(10-13)29(20,26)27/h4-6,9-10H,7-8,11H2,1-3H3,(H2,22,28,29)(H,23,24,26);4-8,11-12H,1-3,9-10H2,(H2,21,27,28)(H,22,23,25);1-3,10-11H,4-9H2,(H2,20,26,27)(H,21,22,24);5-7,10-11H,3-4,8-9H2,1-2H3,(H2,20,26,27)(H,21,22,24);5-11H,3-4H2,1-2H3,(H2,20,26,27)(H,21,22,24)
• InChIKey: HCJBPWZNQTVZMS-UHFFFAOYSA-N
• XLogP: 15.14
• TPSA: 602.79 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 42
• Rotatable Bonds: 25
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2217.78
LogP ≤ 5	15.14
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(diethylamino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;3-[[2-(diethylamino)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;3-[(2-morpholin-4-yl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide;3-[(2-piperidin-1-yl-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide;[8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]methyl 2,2-dimethylpropanoate?

The IUPAC name of 3-[[2-(diethylamino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;3-[[2-(diethylamino)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;3-[(2-morpholin-4-yl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide;3-[(2-piperidin-1-yl-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide;[8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]methyl 2,2-dimethylpropanoate (CID 158437104) is 3-[[2-(diethylamino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;3-[[2-(diethylamino)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;3-[(2-morpholin-4-yl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide;3-[(2-piperidin-1-yl-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide;[8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]methyl 2,2-dimethylpropanoate.

What is the SMILES notation for 3-[[2-(diethylamino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;3-[[2-(diethylamino)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;3-[(2-morpholin-4-yl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide;3-[(2-piperidin-1-yl-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide;[8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]methyl 2,2-dimethylpropanoate?

The canonical SMILES for 3-[[2-(diethylamino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;3-[[2-(diethylamino)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;3-[(2-morpholin-4-yl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide;3-[(2-piperidin-1-yl-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide;[8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]methyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCc1nc2c(s1)-c1nc(Nc3cccc(S(N)(=O)=O)c3)ncc1CC2.CCN(CC)c1nc2c(s1)-c1nc(Nc3cccc(S(N)(=O)=O)c3)ncc1CC2.CCN(CC)c1nc2ccc3cnc(Nc4cccc(S(N)(=O)=O)c4)nc3c2s1.NS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2sc(N4CCOCC4)nc2CC3)c1.NS(=O)(=O)c1cccc(Nc2ncc3ccc4nc(N5CCCCC5)sc4c3n2)c1.

What is the InChIKey of 3-[[2-(diethylamino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;3-[[2-(diethylamino)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;3-[(2-morpholin-4-yl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide;3-[(2-piperidin-1-yl-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide;[8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]methyl 2,2-dimethylpropanoate?

The InChIKey is HCJBPWZNQTVZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4S2.C20H20N6O2S2.C19H20N6O3S2.C19H22N6O2S2.C19H20N6O2S2/c1-21(2,3)19(27)30-11-16-25-15-8-7-12-10-23-20(26-17(12)18(15)31-16)24-13-5-4-6-14(9-13)32(22,28)29;21-30(27,28)15-6-4-5-14(11-15)23-19-22-12-13-7-8-16-18(17(13)25-19)29-20(24-16)26-9-2-1-3-10-26;20-30(26,27)14-3-1-2-13(10-14)22-18-21-11-12-4-5-15-17(16(12)24-18)29-19(23-15)25-6-8-28-9-7-25;2*1-3-25(4-2)19-23-15-9-8-12-11-21-18(24-16(12)17(15)28-19)22-13-6-5-7-14(10-13)29(20,26)27/h4-6,9-10H,7-8,11H2,1-3H3,(H2,22,28,29)(H,23,24,26);4-8,11-12H,1-3,9-10H2,(H2,21,27,28)(H,22,23,25);1-3,10-11H,4-9H2,(H2,20,26,27)(H,21,22,24);5-7,10-11H,3-4,8-9H2,1-2H3,(H2,20,26,27)(H,21,22,24);5-11H,3-4H2,1-2H3,(H2,20,26,27)(H,21,22,24).

What are the key properties of 3-[[2-(diethylamino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;3-[[2-(diethylamino)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;3-[(2-morpholin-4-yl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide;3-[(2-piperidin-1-yl-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide;[8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]methyl 2,2-dimethylpropanoate?

3-[[2-(diethylamino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;3-[[2-(diethylamino)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;3-[(2-morpholin-4-yl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide;3-[(2-piperidin-1-yl-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide;[8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 2217.78 g/mol, XLogP of 15.14, 25 rotatable bonds, 10 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-(diethylamino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;3-[[2-(diethylamino)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;3-[(2-morpholin-4-yl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide;3-[(2-piperidin-1-yl-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide;[8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 158437104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).