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

C90H88N26O9S5 — CID 158010799

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

3-[[2-(4-acetylpiperazine-1-carbonyl)-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[4-[8-(3,5-dimethylanilino)-[1,3]thiazolo[4,5-h]quinazoline-2-carbonyl]piperazin-1-yl]ethanone;[8-(3,5-dimethylanilino)-[1,3]thiazolo[5,4-h]quinazolin-2-yl]-piperazin-1-ylmethanone;N-[3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]acetamide (PubChem CID 158010799) has the molecular formula C90H88N26O9S5 and a molecular weight of 1838.20 g/mol. Its IUPAC name is 3-[[2-(4-acetylpiperazine-1-carbonyl)-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[4-[8-(3,5-dimethylanilino)-[1,3]thiazolo[4,5-h]quinazoline-2-carbonyl]piperazin-1-yl]ethanone;[8-(3,5-dimethylanilino)-[1,3]thiazolo[5,4-h]quinazolin-2-yl]-piperazin-1-ylmethanone;N-[3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]acetamide.

Molecular Properties

• Compound Name: 3-[[2-(4-acetylpiperazine-1-carbonyl)-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[4-[8-(3,5-dimethylanilino)-[1,3]thiazolo[4,5-h]quinazoline-2-carbonyl]piperazin-1-yl]ethanone;[8-(3,5-dimethylanilino)-[1,3]thiazolo[5,4-h]quinazolin-2-yl]-piperazin-1-ylmethanone;N-[3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]acetamide
• PubChem CID: 158010799
• Molecular Formula: C90H88N26O9S5
• Molecular Weight: 1838.20 g/mol
• Exact Mass: 1836.58
• IUPAC Name: 3-[[2-(4-acetylpiperazine-1-carbonyl)-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[4-[8-(3,5-dimethylanilino)-[1,3]thiazolo[4,5-h]quinazoline-2-carbonyl]piperazin-1-yl]ethanone;[8-(3,5-dimethylanilino)-[1,3]thiazolo[5,4-h]quinazolin-2-yl]-piperazin-1-ylmethanone;N-[3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]acetamide
• SMILES: CC(=O)N1CCN(C(=O)c2nc3c(ccc4cnc(Nc5cccc(S(N)(=O)=O)c5)nc43)s2)CC1.CC(=O)N1CCN(C(=O)c2nc3ccc4cnc(Nc5cc(C)cc(C)c5)nc4c3s2)CC1.CC(=O)Nc1cccc(Nc2ncc3ccc4nc(C(=O)N5CCNCC5)sc4c3n2)c1.Cc1cc(C)cc(Nc2ncc3ccc4sc(C(=O)N5CCNCC5)nc4c3n2)c1
• InChI: InChI=1S/C24H24N6O2S.C22H21N7O4S2.C22H21N7O2S.C22H22N6OS/c1-14-10-15(2)12-18(11-14)26-24-25-13-17-4-5-19-21(20(17)28-24)33-22(27-19)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;1-13(30)25-15-3-2-4-16(11-15)26-22-24-12-14-5-6-17-19(18(14)28-22)32-20(27-17)21(31)29-9-7-23-8-10-29;1-13-9-14(2)11-16(10-13)25-22-24-12-15-3-4-17-19(18(15)27-22)26-20(30-17)21(29)28-7-5-23-6-8-28/h4-5,10-13H,6-9H2,1-3H3,(H,25,26,28);2-6,11-12H,7-10H2,1H3,(H2,23,32,33)(H,24,25,27);2-6,11-12,23H,7-10H2,1H3,(H,25,30)(H,24,26,28);3-4,9-12,23H,5-8H2,1-2H3,(H,24,25,27)
• InChIKey: FEVZOMWQDBHKNB-UHFFFAOYSA-N
• XLogP: 12.47
• TPSA: 437.98 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 31
• Rotatable Bonds: 14
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1838.20
LogP ≤ 5	12.47
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

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

The IUPAC name of 3-[[2-(4-acetylpiperazine-1-carbonyl)-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[4-[8-(3,5-dimethylanilino)-[1,3]thiazolo[4,5-h]quinazoline-2-carbonyl]piperazin-1-yl]ethanone;[8-(3,5-dimethylanilino)-[1,3]thiazolo[5,4-h]quinazolin-2-yl]-piperazin-1-ylmethanone;N-[3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]acetamide (CID 158010799) is 3-[[2-(4-acetylpiperazine-1-carbonyl)-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[4-[8-(3,5-dimethylanilino)-[1,3]thiazolo[4,5-h]quinazoline-2-carbonyl]piperazin-1-yl]ethanone;[8-(3,5-dimethylanilino)-[1,3]thiazolo[5,4-h]quinazolin-2-yl]-piperazin-1-ylmethanone;N-[3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]acetamide.

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

The canonical SMILES for 3-[[2-(4-acetylpiperazine-1-carbonyl)-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[4-[8-(3,5-dimethylanilino)-[1,3]thiazolo[4,5-h]quinazoline-2-carbonyl]piperazin-1-yl]ethanone;[8-(3,5-dimethylanilino)-[1,3]thiazolo[5,4-h]quinazolin-2-yl]-piperazin-1-ylmethanone;N-[3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]acetamide is CC(=O)N1CCN(C(=O)c2nc3c(ccc4cnc(Nc5cccc(S(N)(=O)=O)c5)nc43)s2)CC1.CC(=O)N1CCN(C(=O)c2nc3ccc4cnc(Nc5cc(C)cc(C)c5)nc4c3s2)CC1.CC(=O)Nc1cccc(Nc2ncc3ccc4nc(C(=O)N5CCNCC5)sc4c3n2)c1.Cc1cc(C)cc(Nc2ncc3ccc4sc(C(=O)N5CCNCC5)nc4c3n2)c1.

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

The InChIKey is FEVZOMWQDBHKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2S.C22H21N7O4S2.C22H21N7O2S.C22H22N6OS/c1-14-10-15(2)12-18(11-14)26-24-25-13-17-4-5-19-21(20(17)28-24)33-22(27-19)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;1-13(30)25-15-3-2-4-16(11-15)26-22-24-12-14-5-6-17-19(18(14)28-22)32-20(27-17)21(31)29-9-7-23-8-10-29;1-13-9-14(2)11-16(10-13)25-22-24-12-15-3-4-17-19(18(15)27-22)26-20(30-17)21(29)28-7-5-23-6-8-28/h4-5,10-13H,6-9H2,1-3H3,(H,25,26,28);2-6,11-12H,7-10H2,1H3,(H2,23,32,33)(H,24,25,27);2-6,11-12,23H,7-10H2,1H3,(H,25,30)(H,24,26,28);3-4,9-12,23H,5-8H2,1-2H3,(H,24,25,27).

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

3-[[2-(4-acetylpiperazine-1-carbonyl)-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[4-[8-(3,5-dimethylanilino)-[1,3]thiazolo[4,5-h]quinazoline-2-carbonyl]piperazin-1-yl]ethanone;[8-(3,5-dimethylanilino)-[1,3]thiazolo[5,4-h]quinazolin-2-yl]-piperazin-1-ylmethanone;N-[3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]acetamide has a molecular weight of 1838.20 g/mol, XLogP of 12.47, 14 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-(4-acetylpiperazine-1-carbonyl)-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[4-[8-(3,5-dimethylanilino)-[1,3]thiazolo[4,5-h]quinazoline-2-carbonyl]piperazin-1-yl]ethanone;[8-(3,5-dimethylanilino)-[1,3]thiazolo[5,4-h]quinazolin-2-yl]-piperazin-1-ylmethanone;N-[3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]acetamide is sourced from PubChem (CID 158010799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).