2-[[4-[[2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]methyl]-1,3-thiazol-2-yl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

C21H24N8O2S4 — CID 59707833

About 2-[[4-[[2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]methyl]-1,3-thiazol-2-yl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

2-[[4-[[2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]methyl]-1,3-thiazol-2-yl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (PubChem CID 59707833) has the molecular formula C21H24N8O2S4 and a molecular weight of 548.75 g/mol. Its IUPAC name is 2-[[4-[[2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]methyl]-1,3-thiazol-2-yl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[[4-[[2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]methyl]-1,3-thiazol-2-yl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
• PubChem CID: 59707833
• Molecular Formula: C21H24N8O2S4
• Molecular Weight: 548.75 g/mol
• Exact Mass: 548.09
• IUPAC Name: 2-[[4-[[2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]methyl]-1,3-thiazol-2-yl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(Nc2nc(Cc3csc(Nc4nc(C)c(C(=O)N(C)C)s4)n3)cs2)sc1C(=O)N(C)C
• InChI: InChI=1S/C21H24N8O2S4/c1-10-14(16(30)28(3)4)34-20(22-10)26-18-24-12(8-32-18)7-13-9-33-19(25-13)27-21-23-11(2)15(35-21)17(31)29(5)6/h8-9H,7H2,1-6H3,(H,22,24,26)(H,23,25,27)
• InChIKey: WAIFGXMKPGMWSM-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 116.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.75
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]methyl]-1,3-thiazol-2-yl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?

The IUPAC name of 2-[[4-[[2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]methyl]-1,3-thiazol-2-yl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (CID 59707833) is 2-[[4-[[2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]methyl]-1,3-thiazol-2-yl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2-[[4-[[2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]methyl]-1,3-thiazol-2-yl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2-[[4-[[2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]methyl]-1,3-thiazol-2-yl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is Cc1nc(Nc2nc(Cc3csc(Nc4nc(C)c(C(=O)N(C)C)s4)n3)cs2)sc1C(=O)N(C)C.

What is the InChIKey of 2-[[4-[[2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]methyl]-1,3-thiazol-2-yl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?

The InChIKey is WAIFGXMKPGMWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O2S4/c1-10-14(16(30)28(3)4)34-20(22-10)26-18-24-12(8-32-18)7-13-9-33-19(25-13)27-21-23-11(2)15(35-21)17(31)29(5)6/h8-9H,7H2,1-6H3,(H,22,24,26)(H,23,25,27).

What are the key properties of 2-[[4-[[2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]methyl]-1,3-thiazol-2-yl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?

2-[[4-[[2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]methyl]-1,3-thiazol-2-yl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 548.75 g/mol, XLogP of 4.61, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[[2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]methyl]-1,3-thiazol-2-yl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59707833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).