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

C110H123N29O10S7 — CID 157274367

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

3-[[2-[(4-acetylpiperazin-1-yl)methyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;N-(3,5-dimethylphenyl)-2-(morpholin-4-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;3-[[2-(morpholin-4-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-(morpholin-4-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one;1-[3-[[2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one (PubChem CID 157274367) has the molecular formula C110H123N29O10S7 and a molecular weight of 2235.86 g/mol. Its IUPAC name is 3-[[2-[(4-acetylpiperazin-1-yl)methyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;N-(3,5-dimethylphenyl)-2-(morpholin-4-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;3-[[2-(morpholin-4-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-(morpholin-4-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one;1-[3-[[2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one.

Molecular Properties

• Compound Name: 3-[[2-[(4-acetylpiperazin-1-yl)methyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;N-(3,5-dimethylphenyl)-2-(morpholin-4-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;3-[[2-(morpholin-4-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-(morpholin-4-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one;1-[3-[[2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one
• PubChem CID: 157274367
• Molecular Formula: C110H123N29O10S7
• Molecular Weight: 2235.86 g/mol
• Exact Mass: 2233.81
• IUPAC Name: 3-[[2-[(4-acetylpiperazin-1-yl)methyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;N-(3,5-dimethylphenyl)-2-(morpholin-4-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;3-[[2-(morpholin-4-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-(morpholin-4-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one;1-[3-[[2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one
• SMILES: CC(=O)Cc1cccc(Nc2ncc3c(n2)-c2sc(CN4CCNCC4)nc2CC3)c1.CC(=O)Cc1cccc(Nc2ncc3c(n2)-c2sc(CN4CCOCC4)nc2CC3)c1.CC(=O)N1CCN(Cc2nc3c(s2)-c2nc(Nc4cccc(S(N)(=O)=O)c4)ncc2CC3)CC1.Cc1cc(C)cc(Nc2ncc3c(n2)-c2sc(CN4CCOCC4)nc2CC3)c1.NS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2sc(CN4CCOCC4)nc2CC3)c1
• InChI: InChI=1S/C23H26N6OS.C23H25N5O2S.C22H25N7O3S2.C22H25N5OS.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)31-20(27-19)14-29-9-7-24-8-10-29;1-15(29)11-16-3-2-4-18(12-16)25-23-24-13-17-5-6-19-22(21(17)27-23)31-20(26-19)14-28-7-9-30-10-8-28;1-14(30)29-9-7-28(8-10-29)13-19-26-18-6-5-15-12-24-22(27-20(15)21(18)33-19)25-16-3-2-4-17(11-16)34(23,31)32;1-14-9-15(2)11-17(10-14)24-22-23-12-16-3-4-18-21(20(16)26-22)29-19(25-18)13-27-5-7-28-8-6-27;21-31(27,28)15-3-1-2-14(10-15)23-20-22-11-13-4-5-16-19(18(13)25-20)30-17(24-16)12-26-6-8-29-9-7-26/h2-4,12-13,24H,5-11,14H2,1H3,(H,25,26,28);2-4,12-13H,5-11,14H2,1H3,(H,24,25,27);2-4,11-12H,5-10,13H2,1H3,(H2,23,31,32)(H,24,25,27);9-12H,3-8,13H2,1-2H3,(H,23,24,26);1-3,10-11H,4-9,12H2,(H2,21,27,28)(H,22,23,25)
• InChIKey: AYXMKPALKGCLQO-UHFFFAOYSA-N
• XLogP: 13.95
• TPSA: 484.19 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 41
• Rotatable Bonds: 26
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2235.86
LogP ≤ 5	13.95
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

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

The IUPAC name of 3-[[2-[(4-acetylpiperazin-1-yl)methyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;N-(3,5-dimethylphenyl)-2-(morpholin-4-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;3-[[2-(morpholin-4-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-(morpholin-4-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one;1-[3-[[2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one (CID 157274367) is 3-[[2-[(4-acetylpiperazin-1-yl)methyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;N-(3,5-dimethylphenyl)-2-(morpholin-4-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;3-[[2-(morpholin-4-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-(morpholin-4-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one;1-[3-[[2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one.

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

The canonical SMILES for 3-[[2-[(4-acetylpiperazin-1-yl)methyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;N-(3,5-dimethylphenyl)-2-(morpholin-4-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;3-[[2-(morpholin-4-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-(morpholin-4-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one;1-[3-[[2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one is CC(=O)Cc1cccc(Nc2ncc3c(n2)-c2sc(CN4CCNCC4)nc2CC3)c1.CC(=O)Cc1cccc(Nc2ncc3c(n2)-c2sc(CN4CCOCC4)nc2CC3)c1.CC(=O)N1CCN(Cc2nc3c(s2)-c2nc(Nc4cccc(S(N)(=O)=O)c4)ncc2CC3)CC1.Cc1cc(C)cc(Nc2ncc3c(n2)-c2sc(CN4CCOCC4)nc2CC3)c1.NS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2sc(CN4CCOCC4)nc2CC3)c1.

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

The InChIKey is AYXMKPALKGCLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6OS.C23H25N5O2S.C22H25N7O3S2.C22H25N5OS.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)31-20(27-19)14-29-9-7-24-8-10-29;1-15(29)11-16-3-2-4-18(12-16)25-23-24-13-17-5-6-19-22(21(17)27-23)31-20(26-19)14-28-7-9-30-10-8-28;1-14(30)29-9-7-28(8-10-29)13-19-26-18-6-5-15-12-24-22(27-20(15)21(18)33-19)25-16-3-2-4-17(11-16)34(23,31)32;1-14-9-15(2)11-17(10-14)24-22-23-12-16-3-4-18-21(20(16)26-22)29-19(25-18)13-27-5-7-28-8-6-27;21-31(27,28)15-3-1-2-14(10-15)23-20-22-11-13-4-5-16-19(18(13)25-20)30-17(24-16)12-26-6-8-29-9-7-26/h2-4,12-13,24H,5-11,14H2,1H3,(H,25,26,28);2-4,12-13H,5-11,14H2,1H3,(H,24,25,27);2-4,11-12H,5-10,13H2,1H3,(H2,23,31,32)(H,24,25,27);9-12H,3-8,13H2,1-2H3,(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 3-[[2-[(4-acetylpiperazin-1-yl)methyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;N-(3,5-dimethylphenyl)-2-(morpholin-4-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;3-[[2-(morpholin-4-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-(morpholin-4-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one;1-[3-[[2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one?

3-[[2-[(4-acetylpiperazin-1-yl)methyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;N-(3,5-dimethylphenyl)-2-(morpholin-4-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;3-[[2-(morpholin-4-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-(morpholin-4-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one;1-[3-[[2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one has a molecular weight of 2235.86 g/mol, XLogP of 13.95, 26 rotatable bonds, 8 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-[(4-acetylpiperazin-1-yl)methyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;N-(3,5-dimethylphenyl)-2-(morpholin-4-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;3-[[2-(morpholin-4-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-(morpholin-4-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one;1-[3-[[2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one is sourced from PubChem (CID 157274367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).