8-(3-acetamidoanilino)-N,N-dimethyl-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;8-(3-acetamidoanilino)-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid;8-(3,5-dimethylanilino)-N,N-dimethyl-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide;N,N-dimethyl-8-(3-sulfamoylanilino)-[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

C96H85N29O12S7 — CID 158331213

IUPAC8-(3-acetamidoanilino)-N,N-dimethyl-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;8-(3-acetamidoanilino)-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid;8-(3,5-dimethylanilino)-N,N-dimethyl-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide;N,N-dimethyl-8-(3-sulfamoylanilino)-[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
SMILESCC(=O)Nc1cccc(Nc2ncc3ccc4nc(C(=O)O)sc4c3n2)c1.CC(=O)Nc1cccc(Nc2ncc3ccc4sc(C(=O)N(C)C)nc4c3n2)c1.CN(C)C(=O)c1nc2c(ccc3cnc(Nc4cccc(S(N)(=O)=O)c4)nc32)s1.Cc1cc(C)cc(Nc2ncc3ccc4nc(C(=O)N(C)C)sc4c3n2)c1.NS(=O)(=O)c1cccc(Nc2ncc3ccc4nc(C(=O)N5CCNCC5)sc4c3n2)c1
InChIInChI=1S/C20H19N7O3S2.C20H18N6O2S.C20H19N5OS.C18H16N6O3S2.C18H13N5O3S/c21-32(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(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)27-18(23-15)19(26)25(3)4;1-24(2)17(25)16-22-15-13(28-16)7-6-10-9-20-18(23-14(10)15)21-11-4-3-5-12(8-11)29(19,26)27;1-9(24)20-11-3-2-4-12(7-11)21-18-19-8-10-5-6-13-15(14(10)23-18)27-16(22-13)17(25)26/h1-5,10-11,22H,6-9H2,(H2,21,29,30)(H,23,24,26);4-10H,1-3H3,(H,22,27)(H,21,23,25);5-10H,1-4H3,(H,21,22,24);3-9H,1-2H3,(H2,19,26,27)(H,20,21,23);2-8H,1H3,(H,20,24)(H,25,26)(H,19,21,23)
InChIKeyGQAMKJSUJNWUAV-UHFFFAOYSA-N
MW2061.40 g/mol
LogP15.59
Rot. Bonds19

About 8-(3-acetamidoanilino)-N,N-dimethyl-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;8-(3-acetamidoanilino)-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid;8-(3,5-dimethylanilino)-N,N-dimethyl-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide;N,N-dimethyl-8-(3-sulfamoylanilino)-[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

8-(3-acetamidoanilino)-N,N-dimethyl-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;8-(3-acetamidoanilino)-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid;8-(3,5-dimethylanilino)-N,N-dimethyl-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide;N,N-dimethyl-8-(3-sulfamoylanilino)-[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 (PubChem CID 158331213) has the molecular formula C96H85N29O12S7 and a molecular weight of 2061.40 g/mol. Its IUPAC name is 8-(3-acetamidoanilino)-N,N-dimethyl-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;8-(3-acetamidoanilino)-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid;8-(3,5-dimethylanilino)-N,N-dimethyl-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide;N,N-dimethyl-8-(3-sulfamoylanilino)-[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.

Molecular Properties

Compound Name8-(3-acetamidoanilino)-N,N-dimethyl-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;8-(3-acetamidoanilino)-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid;8-(3,5-dimethylanilino)-N,N-dimethyl-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide;N,N-dimethyl-8-(3-sulfamoylanilino)-[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
PubChem CID158331213
Molecular FormulaC96H85N29O12S7
Molecular Weight2061.40 g/mol
Exact Mass2059.50
IUPAC Name8-(3-acetamidoanilino)-N,N-dimethyl-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;8-(3-acetamidoanilino)-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid;8-(3,5-dimethylanilino)-N,N-dimethyl-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide;N,N-dimethyl-8-(3-sulfamoylanilino)-[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
SMILESCC(=O)Nc1cccc(Nc2ncc3ccc4nc(C(=O)O)sc4c3n2)c1.CC(=O)Nc1cccc(Nc2ncc3ccc4sc(C(=O)N(C)C)nc4c3n2)c1.CN(C)C(=O)c1nc2c(ccc3cnc(Nc4cccc(S(N)(=O)=O)c4)nc32)s1.Cc1cc(C)cc(Nc2ncc3ccc4nc(C(=O)N(C)C)sc4c3n2)c1.NS(=O)(=O)c1cccc(Nc2ncc3ccc4nc(C(=O)N5CCNCC5)sc4c3n2)c1
InChIInChI=1S/C20H19N7O3S2.C20H18N6O2S.C20H19N5OS.C18H16N6O3S2.C18H13N5O3S/c21-32(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(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)27-18(23-15)19(26)25(3)4;1-24(2)17(25)16-22-15-13(28-16)7-6-10-9-20-18(23-14(10)15)21-11-4-3-5-12(8-11)29(19,26)27;1-9(24)20-11-3-2-4-12(7-11)21-18-19-8-10-5-6-13-15(14(10)23-18)27-16(22-13)17(25)26/h1-5,10-11,22H,6-9H2,(H2,21,29,30)(H,23,24,26);4-10H,1-3H3,(H,22,27)(H,21,23,25);5-10H,1-4H3,(H,21,22,24);3-9H,1-2H3,(H2,19,26,27)(H,20,21,23);2-8H,1H3,(H,20,24)(H,25,26)(H,19,21,23)
InChIKeyGQAMKJSUJNWUAV-UHFFFAOYSA-N
XLogP15.59
TPSA562.59 Ų
H-Bond Donors11
H-Bond Acceptors37
Rotatable Bonds19
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002061.40
LogP ≤ 515.59
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1037

Analyze 8-(3-acetamidoanilino)-N,N-dimethyl-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;8-(3-acetamidoanilino)-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid;8-(3,5-dimethylanilino)-N,N-dimethyl-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide;N,N-dimethyl-8-(3-sulfamoylanilino)-[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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(3-acetamidoanilino)-N,N-dimethyl-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;8-(3-acetamidoanilino)-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid;8-(3,5-dimethylanilino)-N,N-dimethyl-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide;N,N-dimethyl-8-(3-sulfamoylanilino)-[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?
The IUPAC name of 8-(3-acetamidoanilino)-N,N-dimethyl-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;8-(3-acetamidoanilino)-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid;8-(3,5-dimethylanilino)-N,N-dimethyl-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide;N,N-dimethyl-8-(3-sulfamoylanilino)-[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 (CID 158331213) is 8-(3-acetamidoanilino)-N,N-dimethyl-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;8-(3-acetamidoanilino)-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid;8-(3,5-dimethylanilino)-N,N-dimethyl-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide;N,N-dimethyl-8-(3-sulfamoylanilino)-[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.
What is the SMILES notation for 8-(3-acetamidoanilino)-N,N-dimethyl-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;8-(3-acetamidoanilino)-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid;8-(3,5-dimethylanilino)-N,N-dimethyl-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide;N,N-dimethyl-8-(3-sulfamoylanilino)-[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?
The canonical SMILES for 8-(3-acetamidoanilino)-N,N-dimethyl-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;8-(3-acetamidoanilino)-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid;8-(3,5-dimethylanilino)-N,N-dimethyl-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide;N,N-dimethyl-8-(3-sulfamoylanilino)-[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 is CC(=O)Nc1cccc(Nc2ncc3ccc4nc(C(=O)O)sc4c3n2)c1.CC(=O)Nc1cccc(Nc2ncc3ccc4sc(C(=O)N(C)C)nc4c3n2)c1.CN(C)C(=O)c1nc2c(ccc3cnc(Nc4cccc(S(N)(=O)=O)c4)nc32)s1.Cc1cc(C)cc(Nc2ncc3ccc4nc(C(=O)N(C)C)sc4c3n2)c1.NS(=O)(=O)c1cccc(Nc2ncc3ccc4nc(C(=O)N5CCNCC5)sc4c3n2)c1.
What is the InChIKey of 8-(3-acetamidoanilino)-N,N-dimethyl-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;8-(3-acetamidoanilino)-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid;8-(3,5-dimethylanilino)-N,N-dimethyl-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide;N,N-dimethyl-8-(3-sulfamoylanilino)-[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?
The InChIKey is GQAMKJSUJNWUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O3S2.C20H18N6O2S.C20H19N5OS.C18H16N6O3S2.C18H13N5O3S/c21-32(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(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)27-18(23-15)19(26)25(3)4;1-24(2)17(25)16-22-15-13(28-16)7-6-10-9-20-18(23-14(10)15)21-11-4-3-5-12(8-11)29(19,26)27;1-9(24)20-11-3-2-4-12(7-11)21-18-19-8-10-5-6-13-15(14(10)23-18)27-16(22-13)17(25)26/h1-5,10-11,22H,6-9H2,(H2,21,29,30)(H,23,24,26);4-10H,1-3H3,(H,22,27)(H,21,23,25);5-10H,1-4H3,(H,21,22,24);3-9H,1-2H3,(H2,19,26,27)(H,20,21,23);2-8H,1H3,(H,20,24)(H,25,26)(H,19,21,23).
What are the key properties of 8-(3-acetamidoanilino)-N,N-dimethyl-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;8-(3-acetamidoanilino)-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid;8-(3,5-dimethylanilino)-N,N-dimethyl-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide;N,N-dimethyl-8-(3-sulfamoylanilino)-[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?
8-(3-acetamidoanilino)-N,N-dimethyl-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;8-(3-acetamidoanilino)-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid;8-(3,5-dimethylanilino)-N,N-dimethyl-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide;N,N-dimethyl-8-(3-sulfamoylanilino)-[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 has a molecular weight of 2061.40 g/mol, XLogP of 15.59, 19 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-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;8-(3-acetamidoanilino)-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid;8-(3,5-dimethylanilino)-N,N-dimethyl-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide;N,N-dimethyl-8-(3-sulfamoylanilino)-[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 is sourced from PubChem (CID 158331213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).