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

C23H28N8O2S4 — CID 59707829

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

2-[[4-[2-[2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (PubChem CID 59707829) has the molecular formula C23H28N8O2S4 and a molecular weight of 576.80 g/mol. Its IUPAC name is 2-[[4-[2-[2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[[4-[2-[2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
• PubChem CID: 59707829
• Molecular Formula: C23H28N8O2S4
• Molecular Weight: 576.80 g/mol
• Exact Mass: 576.12
• IUPAC Name: 2-[[4-[2-[2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(Nc2nc(C(C)(C)c3csc(Nc4nc(C)c(C(=O)N(C)C)s4)n3)cs2)sc1C(=O)N(C)C
• InChI: InChI=1S/C23H28N8O2S4/c1-11-15(17(32)30(5)6)36-21(24-11)28-19-26-13(9-34-19)23(3,4)14-10-35-20(27-14)29-22-25-12(2)16(37-22)18(33)31(7)8/h9-10H,1-8H3,(H,24,26,28)(H,25,27,29)
• InChIKey: LPTNWLRINVOIGG-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 116.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	576.80
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of 2-[[4-[2-[2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (CID 59707829) is 2-[[4-[2-[2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.

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

The canonical SMILES for 2-[[4-[2-[2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is Cc1nc(Nc2nc(C(C)(C)c3csc(Nc4nc(C)c(C(=O)N(C)C)s4)n3)cs2)sc1C(=O)N(C)C.

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

The InChIKey is LPTNWLRINVOIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8O2S4/c1-11-15(17(32)30(5)6)36-21(24-11)28-19-26-13(9-34-19)23(3,4)14-10-35-20(27-14)29-22-25-12(2)16(37-22)18(33)31(7)8/h9-10H,1-8H3,(H,24,26,28)(H,25,27,29).

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

2-[[4-[2-[2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 576.80 g/mol, XLogP of 5.35, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[2-[2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59707829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).