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

C104H109N31O9S6 — CID 158023742

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

8-(3-acetamidoanilino)-N,N-dimethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-2-yl]-piperazin-1-ylmethanone;8-(3,5-dimethylanilino)-N,N-dimethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;3-[[2-(piperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;N-[3-[[2-(piperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]acetamide (PubChem CID 158023742) has the molecular formula C104H109N31O9S6 and a molecular weight of 2129.63 g/mol. Its IUPAC name is 8-(3-acetamidoanilino)-N,N-dimethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-2-yl]-piperazin-1-ylmethanone;8-(3,5-dimethylanilino)-N,N-dimethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;3-[[2-(piperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;N-[3-[[2-(piperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]acetamide.

Molecular Properties

• Compound Name: 8-(3-acetamidoanilino)-N,N-dimethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-2-yl]-piperazin-1-ylmethanone;8-(3,5-dimethylanilino)-N,N-dimethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;3-[[2-(piperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;N-[3-[[2-(piperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]acetamide
• PubChem CID: 158023742
• Molecular Formula: C104H109N31O9S6
• Molecular Weight: 2129.63 g/mol
• Exact Mass: 2127.73
• IUPAC Name: 8-(3-acetamidoanilino)-N,N-dimethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-2-yl]-piperazin-1-ylmethanone;8-(3,5-dimethylanilino)-N,N-dimethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;3-[[2-(piperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;N-[3-[[2-(piperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]acetamide
• SMILES: CC(=O)Nc1cccc(Nc2ncc3c(n2)-c2nc(C(=O)N(C)C)sc2CC3)c1.CC(=O)Nc1cccc(Nc2ncc3c(n2)-c2nc(C(=O)N4CCNCC4)sc2CC3)c1.Cc1cc(C)cc(Nc2ncc3c(n2)-c2nc(C(=O)N(C)C)sc2CC3)c1.Cc1cc(C)cc(Nc2ncc3c(n2)-c2nc(C(=O)N4CCNCC4)sc2CC3)c1.NS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2nc(C(=O)N4CCNCC4)sc2CC3)c1
• InChI: InChI=1S/C22H23N7O2S.C22H24N6OS.C20H21N7O3S2.C20H20N6O2S.C20H21N5OS/c1-13(30)25-15-3-2-4-16(11-15)26-22-24-12-14-5-6-17-19(18(14)28-22)27-20(32-17)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;21-32(29,30)14-3-1-2-13(10-14)24-20-23-11-12-4-5-15-17(16(12)26-20)25-18(31-15)19(28)27-8-6-22-7-9-27;1-11(27)22-13-5-4-6-14(9-13)23-20-21-10-12-7-8-15-17(16(12)25-20)24-18(29-15)19(28)26(2)3;1-11-7-12(2)9-14(8-11)22-20-21-10-13-5-6-15-17(16(13)24-20)23-18(27-15)19(26)25(3)4/h2-4,11-12,23H,5-10H2,1H3,(H,25,30)(H,24,26,28);9-12,23H,3-8H2,1-2H3,(H,24,25,27);1-3,10-11,22H,4-9H2,(H2,21,29,30)(H,23,24,26);4-6,9-10H,7-8H2,1-3H3,(H,22,27)(H,21,23,25);7-10H,5-6H2,1-4H3,(H,21,22,24)
• InChIKey: FGJBXFVLRKRGEI-UHFFFAOYSA-N
• XLogP: 13.55
• TPSA: 509.50 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 37
• Rotatable Bonds: 18
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2129.63
LogP ≤ 5	13.55
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

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

The IUPAC name of 8-(3-acetamidoanilino)-N,N-dimethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-2-yl]-piperazin-1-ylmethanone;8-(3,5-dimethylanilino)-N,N-dimethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;3-[[2-(piperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;N-[3-[[2-(piperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]acetamide (CID 158023742) is 8-(3-acetamidoanilino)-N,N-dimethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-2-yl]-piperazin-1-ylmethanone;8-(3,5-dimethylanilino)-N,N-dimethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;3-[[2-(piperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;N-[3-[[2-(piperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]acetamide.

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

The canonical SMILES for 8-(3-acetamidoanilino)-N,N-dimethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-2-yl]-piperazin-1-ylmethanone;8-(3,5-dimethylanilino)-N,N-dimethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;3-[[2-(piperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;N-[3-[[2-(piperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2ncc3c(n2)-c2nc(C(=O)N(C)C)sc2CC3)c1.CC(=O)Nc1cccc(Nc2ncc3c(n2)-c2nc(C(=O)N4CCNCC4)sc2CC3)c1.Cc1cc(C)cc(Nc2ncc3c(n2)-c2nc(C(=O)N(C)C)sc2CC3)c1.Cc1cc(C)cc(Nc2ncc3c(n2)-c2nc(C(=O)N4CCNCC4)sc2CC3)c1.NS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2nc(C(=O)N4CCNCC4)sc2CC3)c1.

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

The InChIKey is FGJBXFVLRKRGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2S.C22H24N6OS.C20H21N7O3S2.C20H20N6O2S.C20H21N5OS/c1-13(30)25-15-3-2-4-16(11-15)26-22-24-12-14-5-6-17-19(18(14)28-22)27-20(32-17)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;21-32(29,30)14-3-1-2-13(10-14)24-20-23-11-12-4-5-15-17(16(12)26-20)25-18(31-15)19(28)27-8-6-22-7-9-27;1-11(27)22-13-5-4-6-14(9-13)23-20-21-10-12-7-8-15-17(16(12)25-20)24-18(29-15)19(28)26(2)3;1-11-7-12(2)9-14(8-11)22-20-21-10-13-5-6-15-17(16(13)24-20)23-18(27-15)19(26)25(3)4/h2-4,11-12,23H,5-10H2,1H3,(H,25,30)(H,24,26,28);9-12,23H,3-8H2,1-2H3,(H,24,25,27);1-3,10-11,22H,4-9H2,(H2,21,29,30)(H,23,24,26);4-6,9-10H,7-8H2,1-3H3,(H,22,27)(H,21,23,25);7-10H,5-6H2,1-4H3,(H,21,22,24).

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

8-(3-acetamidoanilino)-N,N-dimethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-2-yl]-piperazin-1-ylmethanone;8-(3,5-dimethylanilino)-N,N-dimethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;3-[[2-(piperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;N-[3-[[2-(piperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]acetamide has a molecular weight of 2129.63 g/mol, XLogP of 13.55, 18 rotatable bonds, 11 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(3-acetamidoanilino)-N,N-dimethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-2-yl]-piperazin-1-ylmethanone;8-(3,5-dimethylanilino)-N,N-dimethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;3-[[2-(piperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;N-[3-[[2-(piperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]acetamide is sourced from PubChem (CID 158023742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).