8-(3,5-dimethylanilino)-N,N-dimethyl-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide;[8-(3,5-dimethylanilino)-[1,3]thiazolo[5,4-h]quinazolin-2-yl]-piperazin-1-ylmethanone;N,N-dimethyl-8-[3-(2-oxopropyl)anilino]-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one

C106H101N29O9S6 — CID 157302326

About 8-(3,5-dimethylanilino)-N,N-dimethyl-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide;[8-(3,5-dimethylanilino)-[1,3]thiazolo[5,4-h]quinazolin-2-yl]-piperazin-1-ylmethanone;N,N-dimethyl-8-[3-(2-oxopropyl)anilino]-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one

8-(3,5-dimethylanilino)-N,N-dimethyl-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide;[8-(3,5-dimethylanilino)-[1,3]thiazolo[5,4-h]quinazolin-2-yl]-piperazin-1-ylmethanone;N,N-dimethyl-8-[3-(2-oxopropyl)anilino]-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one (PubChem CID 157302326) has the molecular formula C106H101N29O9S6 and a molecular weight of 2117.57 g/mol. Its IUPAC name is 8-(3,5-dimethylanilino)-N,N-dimethyl-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide;[8-(3,5-dimethylanilino)-[1,3]thiazolo[5,4-h]quinazolin-2-yl]-piperazin-1-ylmethanone;N,N-dimethyl-8-[3-(2-oxopropyl)anilino]-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one.

Molecular Properties

• Compound Name: 8-(3,5-dimethylanilino)-N,N-dimethyl-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide;[8-(3,5-dimethylanilino)-[1,3]thiazolo[5,4-h]quinazolin-2-yl]-piperazin-1-ylmethanone;N,N-dimethyl-8-[3-(2-oxopropyl)anilino]-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one
• PubChem CID: 157302326
• Molecular Formula: C106H101N29O9S6
• Molecular Weight: 2117.57 g/mol
• Exact Mass: 2115.67
• IUPAC Name: 8-(3,5-dimethylanilino)-N,N-dimethyl-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide;[8-(3,5-dimethylanilino)-[1,3]thiazolo[5,4-h]quinazolin-2-yl]-piperazin-1-ylmethanone;N,N-dimethyl-8-[3-(2-oxopropyl)anilino]-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one
• SMILES: CC(=O)Cc1cccc(Nc2ncc3ccc4nc(C(=O)N5CCNCC5)sc4c3n2)c1.CC(=O)Cc1cccc(Nc2ncc3ccc4sc(C(=O)N(C)C)nc4c3n2)c1.Cc1cc(C)cc(Nc2ncc3ccc4nc(C(=O)N(C)C)sc4c3n2)c1.Cc1cc(C)cc(Nc2ncc3ccc4sc(C(=O)N5CCNCC5)nc4c3n2)c1.NS(=O)(=O)c1cccc(Nc2ncc3ccc4nc(C(=O)N5CCNCC5)sc4c3n2)c1
• InChI: InChI=1S/C23H22N6O2S.C22H22N6OS.C21H19N5O2S.C20H19N7O3S2.C20H19N5OS/c1-14(30)11-15-3-2-4-17(12-15)26-23-25-13-16-5-6-18-20(19(16)28-23)32-21(27-18)22(31)29-9-7-24-8-10-29;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;1-12(27)9-13-5-4-6-15(10-13)23-21-22-11-14-7-8-16-18(17(14)25-21)24-19(29-16)20(28)26(2)3;21-32(29,30)14-3-1-2-13(10-14)24-20-23-11-12-4-5-15-17(16(12)26-20)31-18(25-15)19(28)27-8-6-22-7-9-27;1-11-7-12(2)9-14(8-11)22-20-21-10-13-5-6-15-17(16(13)24-20)27-18(23-15)19(26)25(3)4/h2-6,12-13,24H,7-11H2,1H3,(H,25,26,28);3-4,9-12,23H,5-8H2,1-2H3,(H,24,25,27);4-8,10-11H,9H2,1-3H3,(H,22,23,25);1-5,10-11,22H,6-9H2,(H2,21,29,30)(H,23,24,26);5-10H,1-4H3,(H,21,22,24)
• InChIKey: BCAULZDCEUAIGV-UHFFFAOYSA-N
• XLogP: 16.60
• TPSA: 485.44 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 37
• Rotatable Bonds: 20
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2117.57
LogP ≤ 5	16.60
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 8-(3,5-dimethylanilino)-N,N-dimethyl-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide;[8-(3,5-dimethylanilino)-[1,3]thiazolo[5,4-h]quinazolin-2-yl]-piperazin-1-ylmethanone;N,N-dimethyl-8-[3-(2-oxopropyl)anilino]-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one?

The IUPAC name of 8-(3,5-dimethylanilino)-N,N-dimethyl-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide;[8-(3,5-dimethylanilino)-[1,3]thiazolo[5,4-h]quinazolin-2-yl]-piperazin-1-ylmethanone;N,N-dimethyl-8-[3-(2-oxopropyl)anilino]-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one (CID 157302326) is 8-(3,5-dimethylanilino)-N,N-dimethyl-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide;[8-(3,5-dimethylanilino)-[1,3]thiazolo[5,4-h]quinazolin-2-yl]-piperazin-1-ylmethanone;N,N-dimethyl-8-[3-(2-oxopropyl)anilino]-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one.

What is the SMILES notation for 8-(3,5-dimethylanilino)-N,N-dimethyl-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide;[8-(3,5-dimethylanilino)-[1,3]thiazolo[5,4-h]quinazolin-2-yl]-piperazin-1-ylmethanone;N,N-dimethyl-8-[3-(2-oxopropyl)anilino]-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one?

The canonical SMILES for 8-(3,5-dimethylanilino)-N,N-dimethyl-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide;[8-(3,5-dimethylanilino)-[1,3]thiazolo[5,4-h]quinazolin-2-yl]-piperazin-1-ylmethanone;N,N-dimethyl-8-[3-(2-oxopropyl)anilino]-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one is CC(=O)Cc1cccc(Nc2ncc3ccc4nc(C(=O)N5CCNCC5)sc4c3n2)c1.CC(=O)Cc1cccc(Nc2ncc3ccc4sc(C(=O)N(C)C)nc4c3n2)c1.Cc1cc(C)cc(Nc2ncc3ccc4nc(C(=O)N(C)C)sc4c3n2)c1.Cc1cc(C)cc(Nc2ncc3ccc4sc(C(=O)N5CCNCC5)nc4c3n2)c1.NS(=O)(=O)c1cccc(Nc2ncc3ccc4nc(C(=O)N5CCNCC5)sc4c3n2)c1.

What is the InChIKey of 8-(3,5-dimethylanilino)-N,N-dimethyl-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide;[8-(3,5-dimethylanilino)-[1,3]thiazolo[5,4-h]quinazolin-2-yl]-piperazin-1-ylmethanone;N,N-dimethyl-8-[3-(2-oxopropyl)anilino]-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one?

The InChIKey is BCAULZDCEUAIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2S.C22H22N6OS.C21H19N5O2S.C20H19N7O3S2.C20H19N5OS/c1-14(30)11-15-3-2-4-17(12-15)26-23-25-13-16-5-6-18-20(19(16)28-23)32-21(27-18)22(31)29-9-7-24-8-10-29;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;1-12(27)9-13-5-4-6-15(10-13)23-21-22-11-14-7-8-16-18(17(14)25-21)24-19(29-16)20(28)26(2)3;21-32(29,30)14-3-1-2-13(10-14)24-20-23-11-12-4-5-15-17(16(12)26-20)31-18(25-15)19(28)27-8-6-22-7-9-27;1-11-7-12(2)9-14(8-11)22-20-21-10-13-5-6-15-17(16(13)24-20)27-18(23-15)19(26)25(3)4/h2-6,12-13,24H,7-11H2,1H3,(H,25,26,28);3-4,9-12,23H,5-8H2,1-2H3,(H,24,25,27);4-8,10-11H,9H2,1-3H3,(H,22,23,25);1-5,10-11,22H,6-9H2,(H2,21,29,30)(H,23,24,26);5-10H,1-4H3,(H,21,22,24).

What are the key properties of 8-(3,5-dimethylanilino)-N,N-dimethyl-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide;[8-(3,5-dimethylanilino)-[1,3]thiazolo[5,4-h]quinazolin-2-yl]-piperazin-1-ylmethanone;N,N-dimethyl-8-[3-(2-oxopropyl)anilino]-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one?

8-(3,5-dimethylanilino)-N,N-dimethyl-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide;[8-(3,5-dimethylanilino)-[1,3]thiazolo[5,4-h]quinazolin-2-yl]-piperazin-1-ylmethanone;N,N-dimethyl-8-[3-(2-oxopropyl)anilino]-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one has a molecular weight of 2117.57 g/mol, XLogP of 16.60, 20 rotatable bonds, 9 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(3,5-dimethylanilino)-N,N-dimethyl-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide;[8-(3,5-dimethylanilino)-[1,3]thiazolo[5,4-h]quinazolin-2-yl]-piperazin-1-ylmethanone;N,N-dimethyl-8-[3-(2-oxopropyl)anilino]-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one is sourced from PubChem (CID 157302326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).