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

C107H122N30O7S7 — CID 157320737

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

N-(3,5-dimethylphenyl)-2-(morpholin-4-ylmethyl)-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-(morpholin-4-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;3-[[2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]propan-2-one (PubChem CID 157320737) has the molecular formula C107H122N30O7S7 and a molecular weight of 2164.82 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(morpholin-4-ylmethyl)-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-(morpholin-4-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;3-[[2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]propan-2-one.

Molecular Properties

• Compound Name: N-(3,5-dimethylphenyl)-2-(morpholin-4-ylmethyl)-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-(morpholin-4-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;3-[[2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]propan-2-one
• PubChem CID: 157320737
• Molecular Formula: C107H122N30O7S7
• Molecular Weight: 2164.82 g/mol
• Exact Mass: 2162.82
• IUPAC Name: N-(3,5-dimethylphenyl)-2-(morpholin-4-ylmethyl)-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-(morpholin-4-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;3-[[2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]propan-2-one
• SMILES: CC(=O)Cc1cccc(Nc2ncc3c(n2)-c2nc(CN4CCNCC4)sc2CC3)c1.Cc1cc(C)cc(Nc2ncc3c(n2)-c2nc(CN4CCNCC4)sc2CC3)c1.Cc1cc(C)cc(Nc2ncc3c(n2)-c2nc(CN4CCOCC4)sc2CC3)c1.NS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2nc(CN4CCNCC4)sc2CC3)c1.NS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2nc(CN4CCOCC4)sc2CC3)c1
• InChI: InChI=1S/C23H26N6OS.C22H26N6S.C22H25N5OS.C20H23N7O2S2.C20H22N6O3S2/c1-15(30)11-16-3-2-4-18(12-16)26-23-25-13-17-5-6-19-22(21(17)28-23)27-20(31-19)14-29-9-7-24-8-10-29;1-14-9-15(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;1-14-9-15(2)11-17(10-14)24-22-23-12-16-3-4-18-21(20(16)26-22)25-19(29-18)13-27-5-7-28-8-6-27;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;21-31(27,28)15-3-1-2-14(10-15)23-20-22-11-13-4-5-16-19(18(13)25-20)24-17(30-16)12-26-6-8-29-9-7-26/h2-4,12-13,24H,5-11,14H2,1H3,(H,25,26,28);9-12,23H,3-8,13H2,1-2H3,(H,24,25,27);9-12H,3-8,13H2,1-2H3,(H,23,24,26);1-3,10-11,22H,4-9,12H2,(H2,21,28,29)(H,23,24,26);1-3,10-11H,4-9,12H2,(H2,21,27,28)(H,22,23,25)
• InChIKey: BEDBZEJCXYOKMA-UHFFFAOYSA-N
• XLogP: 13.75
• TPSA: 461.64 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 40
• Rotatable Bonds: 24
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2164.82
LogP ≤ 5	13.75
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

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

The IUPAC name of N-(3,5-dimethylphenyl)-2-(morpholin-4-ylmethyl)-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-(morpholin-4-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;3-[[2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]propan-2-one (CID 157320737) is N-(3,5-dimethylphenyl)-2-(morpholin-4-ylmethyl)-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-(morpholin-4-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;3-[[2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]propan-2-one.

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

The canonical SMILES for N-(3,5-dimethylphenyl)-2-(morpholin-4-ylmethyl)-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-(morpholin-4-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;3-[[2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]propan-2-one is CC(=O)Cc1cccc(Nc2ncc3c(n2)-c2nc(CN4CCNCC4)sc2CC3)c1.Cc1cc(C)cc(Nc2ncc3c(n2)-c2nc(CN4CCNCC4)sc2CC3)c1.Cc1cc(C)cc(Nc2ncc3c(n2)-c2nc(CN4CCOCC4)sc2CC3)c1.NS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2nc(CN4CCNCC4)sc2CC3)c1.NS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2nc(CN4CCOCC4)sc2CC3)c1.

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

The InChIKey is BEDBZEJCXYOKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6OS.C22H26N6S.C22H25N5OS.C20H23N7O2S2.C20H22N6O3S2/c1-15(30)11-16-3-2-4-18(12-16)26-23-25-13-17-5-6-19-22(21(17)28-23)27-20(31-19)14-29-9-7-24-8-10-29;1-14-9-15(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;1-14-9-15(2)11-17(10-14)24-22-23-12-16-3-4-18-21(20(16)26-22)25-19(29-18)13-27-5-7-28-8-6-27;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;21-31(27,28)15-3-1-2-14(10-15)23-20-22-11-13-4-5-16-19(18(13)25-20)24-17(30-16)12-26-6-8-29-9-7-26/h2-4,12-13,24H,5-11,14H2,1H3,(H,25,26,28);9-12,23H,3-8,13H2,1-2H3,(H,24,25,27);9-12H,3-8,13H2,1-2H3,(H,23,24,26);1-3,10-11,22H,4-9,12H2,(H2,21,28,29)(H,23,24,26);1-3,10-11H,4-9,12H2,(H2,21,27,28)(H,22,23,25).

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

N-(3,5-dimethylphenyl)-2-(morpholin-4-ylmethyl)-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-(morpholin-4-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;3-[[2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]propan-2-one has a molecular weight of 2164.82 g/mol, XLogP of 13.75, 24 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dimethylphenyl)-2-(morpholin-4-ylmethyl)-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-(morpholin-4-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;3-[[2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]propan-2-one is sourced from PubChem (CID 157320737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).