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

C70H74N20O9S4 — CID 157192457

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

3-[[2-(4-acetylpiperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;N-[3-[[2-(4-acetylpiperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]acetamide;1-[4-[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carbonyl]piperazin-1-yl]ethanone (PubChem CID 157192457) has the molecular formula C70H74N20O9S4 and a molecular weight of 1467.76 g/mol. Its IUPAC name is 3-[[2-(4-acetylpiperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;N-[3-[[2-(4-acetylpiperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]acetamide;1-[4-[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 3-[[2-(4-acetylpiperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;N-[3-[[2-(4-acetylpiperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]acetamide;1-[4-[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carbonyl]piperazin-1-yl]ethanone
• PubChem CID: 157192457
• Molecular Formula: C70H74N20O9S4
• Molecular Weight: 1467.76 g/mol
• Exact Mass: 1466.48
• IUPAC Name: 3-[[2-(4-acetylpiperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;N-[3-[[2-(4-acetylpiperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]acetamide;1-[4-[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carbonyl]piperazin-1-yl]ethanone
• SMILES: CC(=O)N1CCN(C(=O)c2nc3c(s2)CCc2cnc(Nc4cc(C)cc(C)c4)nc2-3)CC1.CC(=O)N1CCN(C(=O)c2nc3c(s2)CCc2cnc(Nc4cccc(S(N)(=O)=O)c4)nc2-3)CC1.CC(=O)Nc1cccc(Nc2ncc3c(n2)-c2nc(C(=O)N4CCN(C(C)=O)CC4)sc2CC3)c1
• InChI: InChI=1S/C24H25N7O3S.C24H26N6O2S.C22H23N7O4S2/c1-14(32)26-17-4-3-5-18(12-17)27-24-25-13-16-6-7-19-21(20(16)29-24)28-22(35-19)23(34)31-10-8-30(9-11-31)15(2)33;1-14-10-15(2)12-18(11-14)26-24-25-13-17-4-5-19-21(20(17)28-24)27-22(33-19)23(32)30-8-6-29(7-9-30)16(3)31;1-13(30)28-7-9-29(10-8-28)21(31)20-26-19-17(34-20)6-5-14-12-24-22(27-18(14)19)25-15-3-2-4-16(11-15)35(23,32)33/h3-5,12-13H,6-11H2,1-2H3,(H,26,32)(H,25,27,29);10-13H,4-9H2,1-3H3,(H,25,26,28);2-4,11-12H,5-10H2,1H3,(H2,23,32,33)(H,24,25,27)
• InChIKey: APVZHCNJPODIQC-UHFFFAOYSA-N
• XLogP: 7.46
• TPSA: 363.22 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 11
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1467.76
LogP ≤ 5	7.46
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-acetylpiperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;N-[3-[[2-(4-acetylpiperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]acetamide;1-[4-[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carbonyl]piperazin-1-yl]ethanone?

The IUPAC name of 3-[[2-(4-acetylpiperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;N-[3-[[2-(4-acetylpiperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]acetamide;1-[4-[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carbonyl]piperazin-1-yl]ethanone (CID 157192457) is 3-[[2-(4-acetylpiperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;N-[3-[[2-(4-acetylpiperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]acetamide;1-[4-[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carbonyl]piperazin-1-yl]ethanone.

What is the SMILES notation for 3-[[2-(4-acetylpiperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;N-[3-[[2-(4-acetylpiperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]acetamide;1-[4-[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carbonyl]piperazin-1-yl]ethanone?

The canonical SMILES for 3-[[2-(4-acetylpiperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;N-[3-[[2-(4-acetylpiperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]acetamide;1-[4-[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2nc3c(s2)CCc2cnc(Nc4cc(C)cc(C)c4)nc2-3)CC1.CC(=O)N1CCN(C(=O)c2nc3c(s2)CCc2cnc(Nc4cccc(S(N)(=O)=O)c4)nc2-3)CC1.CC(=O)Nc1cccc(Nc2ncc3c(n2)-c2nc(C(=O)N4CCN(C(C)=O)CC4)sc2CC3)c1.

What is the InChIKey of 3-[[2-(4-acetylpiperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;N-[3-[[2-(4-acetylpiperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]acetamide;1-[4-[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carbonyl]piperazin-1-yl]ethanone?

The InChIKey is APVZHCNJPODIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O3S.C24H26N6O2S.C22H23N7O4S2/c1-14(32)26-17-4-3-5-18(12-17)27-24-25-13-16-6-7-19-21(20(16)29-24)28-22(35-19)23(34)31-10-8-30(9-11-31)15(2)33;1-14-10-15(2)12-18(11-14)26-24-25-13-17-4-5-19-21(20(17)28-24)27-22(33-19)23(32)30-8-6-29(7-9-30)16(3)31;1-13(30)28-7-9-29(10-8-28)21(31)20-26-19-17(34-20)6-5-14-12-24-22(27-18(14)19)25-15-3-2-4-16(11-15)35(23,32)33/h3-5,12-13H,6-11H2,1-2H3,(H,26,32)(H,25,27,29);10-13H,4-9H2,1-3H3,(H,25,26,28);2-4,11-12H,5-10H2,1H3,(H2,23,32,33)(H,24,25,27).

What are the key properties of 3-[[2-(4-acetylpiperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;N-[3-[[2-(4-acetylpiperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]acetamide;1-[4-[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carbonyl]piperazin-1-yl]ethanone?

3-[[2-(4-acetylpiperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;N-[3-[[2-(4-acetylpiperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]acetamide;1-[4-[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 1467.76 g/mol, XLogP of 7.46, 11 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-(4-acetylpiperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;N-[3-[[2-(4-acetylpiperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]acetamide;1-[4-[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 157192457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).