3-[[2-[(dimethylamino)methyl]-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-[(dimethylamino)methyl]-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]propan-2-one;2-[(dimethylamino)methyl]-N-(3,5-dimethylphenyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-amine;N-(3,5-dimethylphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-amine;3-[[2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide

C101H115N29O5S7 — CID 157382496

About 3-[[2-[(dimethylamino)methyl]-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-[(dimethylamino)methyl]-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]propan-2-one;2-[(dimethylamino)methyl]-N-(3,5-dimethylphenyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-amine;N-(3,5-dimethylphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-amine;3-[[2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide

3-[[2-[(dimethylamino)methyl]-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-[(dimethylamino)methyl]-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]propan-2-one;2-[(dimethylamino)methyl]-N-(3,5-dimethylphenyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-amine;N-(3,5-dimethylphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-amine;3-[[2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide (PubChem CID 157382496) has the molecular formula C101H115N29O5S7 and a molecular weight of 2039.70 g/mol. Its IUPAC name is 3-[[2-[(dimethylamino)methyl]-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-[(dimethylamino)methyl]-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]propan-2-one;2-[(dimethylamino)methyl]-N-(3,5-dimethylphenyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-amine;N-(3,5-dimethylphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-amine;3-[[2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide.

Molecular Properties

• Compound Name: 3-[[2-[(dimethylamino)methyl]-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-[(dimethylamino)methyl]-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]propan-2-one;2-[(dimethylamino)methyl]-N-(3,5-dimethylphenyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-amine;N-(3,5-dimethylphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-amine;3-[[2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide
• PubChem CID: 157382496
• Molecular Formula: C101H115N29O5S7
• Molecular Weight: 2039.70 g/mol
• Exact Mass: 2037.77
• IUPAC Name: 3-[[2-[(dimethylamino)methyl]-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-[(dimethylamino)methyl]-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]propan-2-one;2-[(dimethylamino)methyl]-N-(3,5-dimethylphenyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-amine;N-(3,5-dimethylphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-amine;3-[[2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide
• SMILES: CC(=O)Cc1cccc(Nc2ncc3c(n2)-c2nc(CN(C)C)sc2CC3)c1.CN(C)Cc1nc2c(s1)CCc1cnc(Nc3cccc(S(N)(=O)=O)c3)nc1-2.Cc1cc(C)cc(Nc2ncc3c(n2)-c2nc(CN(C)C)sc2CC3)c1.Cc1cc(C)cc(Nc2ncc3c(n2)-c2nc(CN4CCNCC4)sc2CC3)c1.NS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2nc(CN4CCNCC4)sc2CC3)c1
• InChI: InChI=1S/C22H26N6S.C21H23N5OS.C20H23N7O2S2.C20H23N5S.C18H20N6O2S2/c1-14-9-15(2)11-17(10-14)25-22-24-12-16-3-4-18-21(20(16)27-22)26-19(29-18)13-28-7-5-23-6-8-28;1-13(27)9-14-5-4-6-16(10-14)23-21-22-11-15-7-8-17-20(19(15)25-21)24-18(28-17)12-26(2)3;21-31(28,29)15-3-1-2-14(10-15)24-20-23-11-13-4-5-16-19(18(13)26-20)25-17(30-16)12-27-8-6-22-7-9-27;1-12-7-13(2)9-15(8-12)22-20-21-10-14-5-6-16-19(18(14)24-20)23-17(26-16)11-25(3)4;1-24(2)10-15-22-17-14(27-15)7-6-11-9-20-18(23-16(11)17)21-12-4-3-5-13(8-12)28(19,25)26/h9-12,23H,3-8,13H2,1-2H3,(H,24,25,27);4-6,10-11H,7-9,12H2,1-3H3,(H,22,23,25);1-3,10-11,22H,4-9,12H2,(H2,21,28,29)(H,23,24,26);7-10H,5-6,11H2,1-4H3,(H,21,22,24);3-5,8-9H,6-7,10H2,1-2H3,(H2,19,25,26)(H,20,21,23)
• InChIKey: BLAXPJPOBRGVOL-UHFFFAOYSA-N
• XLogP: 14.87
• TPSA: 431.15 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 37
• Rotatable Bonds: 24
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2039.70
LogP ≤ 5	14.87
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(dimethylamino)methyl]-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-[(dimethylamino)methyl]-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]propan-2-one;2-[(dimethylamino)methyl]-N-(3,5-dimethylphenyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-amine;N-(3,5-dimethylphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-amine;3-[[2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide?

The IUPAC name of 3-[[2-[(dimethylamino)methyl]-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-[(dimethylamino)methyl]-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]propan-2-one;2-[(dimethylamino)methyl]-N-(3,5-dimethylphenyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-amine;N-(3,5-dimethylphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-amine;3-[[2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide (CID 157382496) is 3-[[2-[(dimethylamino)methyl]-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-[(dimethylamino)methyl]-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]propan-2-one;2-[(dimethylamino)methyl]-N-(3,5-dimethylphenyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-amine;N-(3,5-dimethylphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-amine;3-[[2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide.

What is the SMILES notation for 3-[[2-[(dimethylamino)methyl]-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-[(dimethylamino)methyl]-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]propan-2-one;2-[(dimethylamino)methyl]-N-(3,5-dimethylphenyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-amine;N-(3,5-dimethylphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-amine;3-[[2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide?

The canonical SMILES for 3-[[2-[(dimethylamino)methyl]-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-[(dimethylamino)methyl]-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]propan-2-one;2-[(dimethylamino)methyl]-N-(3,5-dimethylphenyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-amine;N-(3,5-dimethylphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-amine;3-[[2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide is CC(=O)Cc1cccc(Nc2ncc3c(n2)-c2nc(CN(C)C)sc2CC3)c1.CN(C)Cc1nc2c(s1)CCc1cnc(Nc3cccc(S(N)(=O)=O)c3)nc1-2.Cc1cc(C)cc(Nc2ncc3c(n2)-c2nc(CN(C)C)sc2CC3)c1.Cc1cc(C)cc(Nc2ncc3c(n2)-c2nc(CN4CCNCC4)sc2CC3)c1.NS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2nc(CN4CCNCC4)sc2CC3)c1.

What is the InChIKey of 3-[[2-[(dimethylamino)methyl]-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-[(dimethylamino)methyl]-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]propan-2-one;2-[(dimethylamino)methyl]-N-(3,5-dimethylphenyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-amine;N-(3,5-dimethylphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-amine;3-[[2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide?

The InChIKey is BLAXPJPOBRGVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6S.C21H23N5OS.C20H23N7O2S2.C20H23N5S.C18H20N6O2S2/c1-14-9-15(2)11-17(10-14)25-22-24-12-16-3-4-18-21(20(16)27-22)26-19(29-18)13-28-7-5-23-6-8-28;1-13(27)9-14-5-4-6-16(10-14)23-21-22-11-15-7-8-17-20(19(15)25-21)24-18(28-17)12-26(2)3;21-31(28,29)15-3-1-2-14(10-15)24-20-23-11-13-4-5-16-19(18(13)26-20)25-17(30-16)12-27-8-6-22-7-9-27;1-12-7-13(2)9-15(8-12)22-20-21-10-14-5-6-16-19(18(14)24-20)23-17(26-16)11-25(3)4;1-24(2)10-15-22-17-14(27-15)7-6-11-9-20-18(23-16(11)17)21-12-4-3-5-13(8-12)28(19,25)26/h9-12,23H,3-8,13H2,1-2H3,(H,24,25,27);4-6,10-11H,7-9,12H2,1-3H3,(H,22,23,25);1-3,10-11,22H,4-9,12H2,(H2,21,28,29)(H,23,24,26);7-10H,5-6,11H2,1-4H3,(H,21,22,24);3-5,8-9H,6-7,10H2,1-2H3,(H2,19,25,26)(H,20,21,23).

What are the key properties of 3-[[2-[(dimethylamino)methyl]-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-[(dimethylamino)methyl]-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]propan-2-one;2-[(dimethylamino)methyl]-N-(3,5-dimethylphenyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-amine;N-(3,5-dimethylphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-amine;3-[[2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide?

3-[[2-[(dimethylamino)methyl]-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-[(dimethylamino)methyl]-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]propan-2-one;2-[(dimethylamino)methyl]-N-(3,5-dimethylphenyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-amine;N-(3,5-dimethylphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-amine;3-[[2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide has a molecular weight of 2039.70 g/mol, XLogP of 14.87, 24 rotatable bonds, 9 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-[(dimethylamino)methyl]-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-[(dimethylamino)methyl]-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]propan-2-one;2-[(dimethylamino)methyl]-N-(3,5-dimethylphenyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-amine;N-(3,5-dimethylphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-amine;3-[[2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide is sourced from PubChem (CID 157382496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).