N-[5-[2-(5-amino-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-(5-cyano-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;bis(3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzonitrile);3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzenesulfonamide;N-[5-[2-(2-methoxy-5-nitroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

C104H107N27O12S13 — CID 161014936

About N-[5-[2-(5-amino-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-(5-cyano-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;bis(3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzonitrile);3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzenesulfonamide;N-[5-[2-(2-methoxy-5-nitroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

N-[5-[2-(5-amino-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-(5-cyano-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;bis(3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzonitrile);3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzenesulfonamide;N-[5-[2-(2-methoxy-5-nitroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 161014936) has the molecular formula C104H107N27O12S13 and a molecular weight of 2344.05 g/mol. Its IUPAC name is N-[5-[2-(5-amino-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-(5-cyano-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;bis(3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzonitrile);3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzenesulfonamide;N-[5-[2-(2-methoxy-5-nitroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[5-[2-(5-amino-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-(5-cyano-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;bis(3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzonitrile);3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzenesulfonamide;N-[5-[2-(2-methoxy-5-nitroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
• PubChem CID: 161014936
• Molecular Formula: C104H107N27O12S13
• Molecular Weight: 2344.05 g/mol
• Exact Mass: 2341.50
• IUPAC Name: N-[5-[2-(5-amino-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-(5-cyano-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;bis(3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzonitrile);3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzenesulfonamide;N-[5-[2-(2-methoxy-5-nitroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
• SMILES: CC(=O)Nc1nc(C)c(-c2csc(Nc3cc(C#N)ccc3OC(C)C)n2)s1.CCCc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2sc(C)nc2C)cs1.COc1ccc(N)cc1Nc1nc(-c2sc(NC(C)=O)nc2C)cs1.COc1ccc([N+](=O)[O-])cc1Nc1nc(-c2sc(NC(C)=O)nc2C)cs1.Cc1nc(C)c(-c2csc(Nc3cc(C#N)ccc3OC(C)C)n2)s1.Cc1nc(C)c(-c2csc(Nc3cc(C#N)ccc3OC(C)C)n2)s1
• InChI: InChI=1S/C19H19N5O2S2.2C18H18N4OS2.C17H20N4O2S3.C16H15N5O4S2.C16H17N5O2S2/c1-10(2)26-16-6-5-13(8-20)7-14(16)23-18-24-15(9-27-18)17-11(3)21-19(28-17)22-12(4)25;2*1-10(2)23-16-6-5-13(8-19)7-14(16)21-18-22-15(9-24-18)17-11(3)20-12(4)25-17;1-4-5-12-6-7-13(26(18,22)23)8-14(12)20-17-21-15(9-24-17)16-10(2)19-11(3)25-16;1-8-14(27-16(17-8)18-9(2)22)12-7-26-15(20-12)19-11-6-10(21(23)24)4-5-13(11)25-3;1-8-14(25-16(18-8)19-9(2)22)12-7-24-15(21-12)20-11-6-10(17)4-5-13(11)23-3/h5-7,9-10H,1-4H3,(H,23,24)(H,21,22,25);2*5-7,9-10H,1-4H3,(H,21,22);6-9H,4-5H2,1-3H3,(H,20,21)(H2,18,22,23);4-7H,1-3H3,(H,19,20)(H,17,18,22);4-7H,17H2,1-3H3,(H,20,21)(H,18,19,22)
• InChIKey: TXPHRDYDDKLWAR-UHFFFAOYSA-N
• XLogP: 27.80
• TPSA: 561.00 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 46
• Rotatable Bonds: 33
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2344.05
LogP ≤ 5	27.80
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(5-amino-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-(5-cyano-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;bis(3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzonitrile);3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzenesulfonamide;N-[5-[2-(2-methoxy-5-nitroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?

The IUPAC name of N-[5-[2-(5-amino-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-(5-cyano-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;bis(3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzonitrile);3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzenesulfonamide;N-[5-[2-(2-methoxy-5-nitroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 161014936) is N-[5-[2-(5-amino-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-(5-cyano-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;bis(3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzonitrile);3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzenesulfonamide;N-[5-[2-(2-methoxy-5-nitroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for N-[5-[2-(5-amino-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-(5-cyano-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;bis(3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzonitrile);3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzenesulfonamide;N-[5-[2-(2-methoxy-5-nitroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for N-[5-[2-(5-amino-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-(5-cyano-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;bis(3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzonitrile);3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzenesulfonamide;N-[5-[2-(2-methoxy-5-nitroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2csc(Nc3cc(C#N)ccc3OC(C)C)n2)s1.CCCc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2sc(C)nc2C)cs1.COc1ccc(N)cc1Nc1nc(-c2sc(NC(C)=O)nc2C)cs1.COc1ccc([N+](=O)[O-])cc1Nc1nc(-c2sc(NC(C)=O)nc2C)cs1.Cc1nc(C)c(-c2csc(Nc3cc(C#N)ccc3OC(C)C)n2)s1.Cc1nc(C)c(-c2csc(Nc3cc(C#N)ccc3OC(C)C)n2)s1.

What is the InChIKey of N-[5-[2-(5-amino-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-(5-cyano-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;bis(3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzonitrile);3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzenesulfonamide;N-[5-[2-(2-methoxy-5-nitroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?

The InChIKey is TXPHRDYDDKLWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S2.2C18H18N4OS2.C17H20N4O2S3.C16H15N5O4S2.C16H17N5O2S2/c1-10(2)26-16-6-5-13(8-20)7-14(16)23-18-24-15(9-27-18)17-11(3)21-19(28-17)22-12(4)25;2*1-10(2)23-16-6-5-13(8-19)7-14(16)21-18-22-15(9-24-18)17-11(3)20-12(4)25-17;1-4-5-12-6-7-13(26(18,22)23)8-14(12)20-17-21-15(9-24-17)16-10(2)19-11(3)25-16;1-8-14(27-16(17-8)18-9(2)22)12-7-26-15(20-12)19-11-6-10(21(23)24)4-5-13(11)25-3;1-8-14(25-16(18-8)19-9(2)22)12-7-24-15(21-12)20-11-6-10(17)4-5-13(11)23-3/h5-7,9-10H,1-4H3,(H,23,24)(H,21,22,25);2*5-7,9-10H,1-4H3,(H,21,22);6-9H,4-5H2,1-3H3,(H,20,21)(H2,18,22,23);4-7H,1-3H3,(H,19,20)(H,17,18,22);4-7H,17H2,1-3H3,(H,20,21)(H,18,19,22).

What are the key properties of N-[5-[2-(5-amino-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-(5-cyano-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;bis(3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzonitrile);3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzenesulfonamide;N-[5-[2-(2-methoxy-5-nitroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?

N-[5-[2-(5-amino-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-(5-cyano-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;bis(3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzonitrile);3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzenesulfonamide;N-[5-[2-(2-methoxy-5-nitroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 2344.05 g/mol, XLogP of 27.80, 33 rotatable bonds, 11 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-(5-amino-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-(5-cyano-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;bis(3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzonitrile);3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzenesulfonamide;N-[5-[2-(2-methoxy-5-nitroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 161014936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).