3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-benzyl-4-methoxybenzamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzenesulfonamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzoic acid;4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-ethylsulfonyl-2-methoxyphenyl)-1,3-thiazol-2-amine;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzenesulfonamide;5-[2-(5-ethylsulfonyl-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine;N-[5-[2-(2-methoxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

C115H120N30O21S19 — CID 160711427

About 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-benzyl-4-methoxybenzamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzenesulfonamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzoic acid;4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-ethylsulfonyl-2-methoxyphenyl)-1,3-thiazol-2-amine;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzenesulfonamide;5-[2-(5-ethylsulfonyl-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine;N-[5-[2-(2-methoxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-benzyl-4-methoxybenzamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzenesulfonamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzoic acid;4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-ethylsulfonyl-2-methoxyphenyl)-1,3-thiazol-2-amine;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzenesulfonamide;5-[2-(5-ethylsulfonyl-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine;N-[5-[2-(2-methoxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 160711427) has the molecular formula C115H120N30O21S19 and a molecular weight of 2867.69 g/mol. Its IUPAC name is 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-benzyl-4-methoxybenzamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzenesulfonamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzoic acid;4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-ethylsulfonyl-2-methoxyphenyl)-1,3-thiazol-2-amine;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzenesulfonamide;5-[2-(5-ethylsulfonyl-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine;N-[5-[2-(2-methoxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-benzyl-4-methoxybenzamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzenesulfonamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzoic acid;4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-ethylsulfonyl-2-methoxyphenyl)-1,3-thiazol-2-amine;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzenesulfonamide;5-[2-(5-ethylsulfonyl-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine;N-[5-[2-(2-methoxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
• PubChem CID: 160711427
• Molecular Formula: C115H120N30O21S19
• Molecular Weight: 2867.69 g/mol
• Exact Mass: 2864.39
• IUPAC Name: 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-benzyl-4-methoxybenzamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzenesulfonamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzoic acid;4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-ethylsulfonyl-2-methoxyphenyl)-1,3-thiazol-2-amine;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzenesulfonamide;5-[2-(5-ethylsulfonyl-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine;N-[5-[2-(2-methoxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
• SMILES: CCS(=O)(=O)c1ccc(OC)c(Nc2nc(-c3sc(C)nc3C)cs2)c1.CCS(=O)(=O)c1ccc(OC)c(Nc2nc(-c3sc(N)nc3C)cs2)c1.COc1ccc(C(=O)NCc2ccccc2)cc1Nc1nc(-c2sc(N)nc2C)cs1.COc1ccc(C(=O)O)cc1Nc1nc(-c2sc(N)nc2C)cs1.COc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2sc(C)nc2C)cs1.COc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2sc(N)nc2C)cs1.COc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2sc(NC(C)=O)nc2C)cs1
• InChI: InChI=1S/C22H21N5O2S2.C17H19N3O3S3.C16H17N5O4S3.C16H18N4O3S3.C15H16N4O3S3.C15H14N4O3S2.C14H15N5O3S3/c1-13-19(31-21(23)25-13)17-12-30-22(27-17)26-16-10-15(8-9-18(16)29-2)20(28)24-11-14-6-4-3-5-7-14;1-5-26(21,22)12-6-7-15(23-4)13(8-12)19-17-20-14(9-24-17)16-10(2)18-11(3)25-16;1-8-14(27-16(18-8)19-9(2)22)12-7-26-15(21-12)20-11-6-10(28(17,23)24)4-5-13(11)25-3;1-4-26(21,22)10-5-6-13(23-3)11(7-10)19-16-20-12(8-24-16)14-9(2)18-15(17)25-14;1-8-14(24-9(2)17-8)12-7-23-15(19-12)18-11-6-10(25(16,20)21)4-5-13(11)22-3;1-7-12(24-14(16)17-7)10-6-23-15(19-10)18-9-5-8(13(20)21)3-4-11(9)22-2;1-7-12(24-13(15)17-7)10-6-23-14(19-10)18-9-5-8(25(16,20)21)3-4-11(9)22-2/h3-10,12H,11H2,1-2H3,(H2,23,25)(H,24,28)(H,26,27);6-9H,5H2,1-4H3,(H,19,20);4-7H,1-3H3,(H,20,21)(H2,17,23,24)(H,18,19,22);5-8H,4H2,1-3H3,(H2,17,18)(H,19,20);4-7H,1-3H3,(H,18,19)(H2,16,20,21);3-6H,1-2H3,(H2,16,17)(H,18,19)(H,20,21);3-6H,1-2H3,(H2,15,17)(H,18,19)(H2,16,20,21)
• InChIKey: RRXHPYJIJGAGQD-UHFFFAOYSA-N
• XLogP: 25.35
• TPSA: 777.62 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 59
• Rotatable Bonds: 40
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2867.69
LogP ≤ 5	25.35
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	59

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiazole_amine_A(4)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-benzyl-4-methoxybenzamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzenesulfonamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzoic acid;4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-ethylsulfonyl-2-methoxyphenyl)-1,3-thiazol-2-amine;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzenesulfonamide;5-[2-(5-ethylsulfonyl-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine;N-[5-[2-(2-methoxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?

The IUPAC name of 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-benzyl-4-methoxybenzamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzenesulfonamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzoic acid;4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-ethylsulfonyl-2-methoxyphenyl)-1,3-thiazol-2-amine;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzenesulfonamide;5-[2-(5-ethylsulfonyl-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine;N-[5-[2-(2-methoxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 160711427) is 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-benzyl-4-methoxybenzamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzenesulfonamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzoic acid;4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-ethylsulfonyl-2-methoxyphenyl)-1,3-thiazol-2-amine;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzenesulfonamide;5-[2-(5-ethylsulfonyl-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine;N-[5-[2-(2-methoxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-benzyl-4-methoxybenzamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzenesulfonamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzoic acid;4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-ethylsulfonyl-2-methoxyphenyl)-1,3-thiazol-2-amine;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzenesulfonamide;5-[2-(5-ethylsulfonyl-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine;N-[5-[2-(2-methoxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-benzyl-4-methoxybenzamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzenesulfonamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzoic acid;4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-ethylsulfonyl-2-methoxyphenyl)-1,3-thiazol-2-amine;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzenesulfonamide;5-[2-(5-ethylsulfonyl-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine;N-[5-[2-(2-methoxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is CCS(=O)(=O)c1ccc(OC)c(Nc2nc(-c3sc(C)nc3C)cs2)c1.CCS(=O)(=O)c1ccc(OC)c(Nc2nc(-c3sc(N)nc3C)cs2)c1.COc1ccc(C(=O)NCc2ccccc2)cc1Nc1nc(-c2sc(N)nc2C)cs1.COc1ccc(C(=O)O)cc1Nc1nc(-c2sc(N)nc2C)cs1.COc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2sc(C)nc2C)cs1.COc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2sc(N)nc2C)cs1.COc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2sc(NC(C)=O)nc2C)cs1.

What is the InChIKey of 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-benzyl-4-methoxybenzamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzenesulfonamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzoic acid;4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-ethylsulfonyl-2-methoxyphenyl)-1,3-thiazol-2-amine;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzenesulfonamide;5-[2-(5-ethylsulfonyl-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine;N-[5-[2-(2-methoxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?

The InChIKey is RRXHPYJIJGAGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S2.C17H19N3O3S3.C16H17N5O4S3.C16H18N4O3S3.C15H16N4O3S3.C15H14N4O3S2.C14H15N5O3S3/c1-13-19(31-21(23)25-13)17-12-30-22(27-17)26-16-10-15(8-9-18(16)29-2)20(28)24-11-14-6-4-3-5-7-14;1-5-26(21,22)12-6-7-15(23-4)13(8-12)19-17-20-14(9-24-17)16-10(2)18-11(3)25-16;1-8-14(27-16(18-8)19-9(2)22)12-7-26-15(21-12)20-11-6-10(28(17,23)24)4-5-13(11)25-3;1-4-26(21,22)10-5-6-13(23-3)11(7-10)19-16-20-12(8-24-16)14-9(2)18-15(17)25-14;1-8-14(24-9(2)17-8)12-7-23-15(19-12)18-11-6-10(25(16,20)21)4-5-13(11)22-3;1-7-12(24-14(16)17-7)10-6-23-15(19-10)18-9-5-8(13(20)21)3-4-11(9)22-2;1-7-12(24-13(15)17-7)10-6-23-14(19-10)18-9-5-8(25(16,20)21)3-4-11(9)22-2/h3-10,12H,11H2,1-2H3,(H2,23,25)(H,24,28)(H,26,27);6-9H,5H2,1-4H3,(H,19,20);4-7H,1-3H3,(H,20,21)(H2,17,23,24)(H,18,19,22);5-8H,4H2,1-3H3,(H2,17,18)(H,19,20);4-7H,1-3H3,(H,18,19)(H2,16,20,21);3-6H,1-2H3,(H2,16,17)(H,18,19)(H,20,21);3-6H,1-2H3,(H2,15,17)(H,18,19)(H2,16,20,21).

What are the key properties of 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-benzyl-4-methoxybenzamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzenesulfonamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzoic acid;4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-ethylsulfonyl-2-methoxyphenyl)-1,3-thiazol-2-amine;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzenesulfonamide;5-[2-(5-ethylsulfonyl-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine;N-[5-[2-(2-methoxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?

3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-benzyl-4-methoxybenzamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzenesulfonamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzoic acid;4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-ethylsulfonyl-2-methoxyphenyl)-1,3-thiazol-2-amine;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzenesulfonamide;5-[2-(5-ethylsulfonyl-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine;N-[5-[2-(2-methoxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 2867.69 g/mol, XLogP of 25.35, 40 rotatable bonds, 17 hydrogen bond donors, and 59 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-benzyl-4-methoxybenzamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzenesulfonamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzoic acid;4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-ethylsulfonyl-2-methoxyphenyl)-1,3-thiazol-2-amine;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzenesulfonamide;5-[2-(5-ethylsulfonyl-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine;N-[5-[2-(2-methoxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 160711427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).