3-[[2-[(4-acetylpiperazin-1-yl)methyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;N-[3-[[2-[(4-acetylpiperazin-1-yl)methyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]acetamide;1-[4-[[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]methyl]piperazin-1-yl]ethanone

C70H80N20O6S4 — CID 157342383

About 3-[[2-[(4-acetylpiperazin-1-yl)methyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;N-[3-[[2-[(4-acetylpiperazin-1-yl)methyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]acetamide;1-[4-[[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]methyl]piperazin-1-yl]ethanone

3-[[2-[(4-acetylpiperazin-1-yl)methyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;N-[3-[[2-[(4-acetylpiperazin-1-yl)methyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]acetamide;1-[4-[[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]methyl]piperazin-1-yl]ethanone (PubChem CID 157342383) has the molecular formula C70H80N20O6S4 and a molecular weight of 1425.81 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-[[2-[(4-acetylpiperazin-1-yl)methyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]acetamide;1-[4-[[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]methyl]piperazin-1-yl]ethanone.

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-[[2-[(4-acetylpiperazin-1-yl)methyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]acetamide;1-[4-[[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]methyl]piperazin-1-yl]ethanone
• PubChem CID: 157342383
• Molecular Formula: C70H80N20O6S4
• Molecular Weight: 1425.81 g/mol
• Exact Mass: 1424.55
• 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-[[2-[(4-acetylpiperazin-1-yl)methyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]acetamide;1-[4-[[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]methyl]piperazin-1-yl]ethanone
• SMILES: CC(=O)N1CCN(Cc2nc3c(s2)-c2nc(Nc4cc(C)cc(C)c4)ncc2CC3)CC1.CC(=O)N1CCN(Cc2nc3c(s2)-c2nc(Nc4cccc(S(N)(=O)=O)c4)ncc2CC3)CC1.CC(=O)Nc1cccc(Nc2ncc3c(n2)-c2sc(CN4CCN(C(C)=O)CC4)nc2CC3)c1
• InChI: InChI=1S/C24H27N7O2S.C24H28N6OS.C22H25N7O3S2/c1-15(32)26-18-4-3-5-19(12-18)27-24-25-13-17-6-7-20-23(22(17)29-24)34-21(28-20)14-30-8-10-31(11-9-30)16(2)33;1-15-10-16(2)12-19(11-15)26-24-25-13-18-4-5-20-23(22(18)28-24)32-21(27-20)14-29-6-8-30(9-7-29)17(3)31;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/h3-5,12-13H,6-11,14H2,1-2H3,(H,26,32)(H,25,27,29);10-13H,4-9,14H2,1-3H3,(H,25,26,28);2-4,11-12H,5-10,13H2,1H3,(H2,23,31,32)(H,24,25,27)
• InChIKey: BGNXVKOLYWBVJT-UHFFFAOYSA-N
• XLogP: 8.54
• TPSA: 312.01 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1425.81
LogP ≤ 5	8.54
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

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-[[2-[(4-acetylpiperazin-1-yl)methyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]acetamide;1-[4-[[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]methyl]piperazin-1-yl]ethanone?

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-[[2-[(4-acetylpiperazin-1-yl)methyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]acetamide;1-[4-[[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]methyl]piperazin-1-yl]ethanone (CID 157342383) is 3-[[2-[(4-acetylpiperazin-1-yl)methyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;N-[3-[[2-[(4-acetylpiperazin-1-yl)methyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]acetamide;1-[4-[[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]methyl]piperazin-1-yl]ethanone.

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-[[2-[(4-acetylpiperazin-1-yl)methyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]acetamide;1-[4-[[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]methyl]piperazin-1-yl]ethanone?

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-[[2-[(4-acetylpiperazin-1-yl)methyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]acetamide;1-[4-[[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2nc3c(s2)-c2nc(Nc4cc(C)cc(C)c4)ncc2CC3)CC1.CC(=O)N1CCN(Cc2nc3c(s2)-c2nc(Nc4cccc(S(N)(=O)=O)c4)ncc2CC3)CC1.CC(=O)Nc1cccc(Nc2ncc3c(n2)-c2sc(CN4CCN(C(C)=O)CC4)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-[[2-[(4-acetylpiperazin-1-yl)methyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]acetamide;1-[4-[[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]methyl]piperazin-1-yl]ethanone?

The InChIKey is BGNXVKOLYWBVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2S.C24H28N6OS.C22H25N7O3S2/c1-15(32)26-18-4-3-5-19(12-18)27-24-25-13-17-6-7-20-23(22(17)29-24)34-21(28-20)14-30-8-10-31(11-9-30)16(2)33;1-15-10-16(2)12-19(11-15)26-24-25-13-18-4-5-20-23(22(18)28-24)32-21(27-20)14-29-6-8-30(9-7-29)17(3)31;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/h3-5,12-13H,6-11,14H2,1-2H3,(H,26,32)(H,25,27,29);10-13H,4-9,14H2,1-3H3,(H,25,26,28);2-4,11-12H,5-10,13H2,1H3,(H2,23,31,32)(H,24,25,27).

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-[[2-[(4-acetylpiperazin-1-yl)methyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]acetamide;1-[4-[[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]methyl]piperazin-1-yl]ethanone?

3-[[2-[(4-acetylpiperazin-1-yl)methyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;N-[3-[[2-[(4-acetylpiperazin-1-yl)methyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]acetamide;1-[4-[[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]methyl]piperazin-1-yl]ethanone has a molecular weight of 1425.81 g/mol, XLogP of 8.54, 14 rotatable bonds, 5 hydrogen bond donors, and 24 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-[[2-[(4-acetylpiperazin-1-yl)methyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]acetamide;1-[4-[[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 157342383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).