(2E)-2-[[4-[2-[(2E)-2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]imino]-3-methyl-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]imino]-N,N,3,4-tetramethyl-1,3-thiazole-5-carboxamide

C25H32N8O2S4 — CID 143179857

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

(2E)-2-[[4-[2-[(2E)-2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]imino]-3-methyl-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]imino]-N,N,3,4-tetramethyl-1,3-thiazole-5-carboxamide (PubChem CID 143179857) has the molecular formula C25H32N8O2S4 and a molecular weight of 604.85 g/mol. Its IUPAC name is (2E)-2-[[4-[2-[(2E)-2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]imino]-3-methyl-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]imino]-N,N,3,4-tetramethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: (2E)-2-[[4-[2-[(2E)-2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]imino]-3-methyl-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]imino]-N,N,3,4-tetramethyl-1,3-thiazole-5-carboxamide
• PubChem CID: 143179857
• Molecular Formula: C25H32N8O2S4
• Molecular Weight: 604.85 g/mol
• Exact Mass: 604.15
• IUPAC Name: (2E)-2-[[4-[2-[(2E)-2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]imino]-3-methyl-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]imino]-N,N,3,4-tetramethyl-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(/N=c2/scc(C(C)(C)c3csc(/N=c4/sc(C(=O)N(C)C)c(C)n4C)n3)n2C)sc1C(=O)N(C)C
• InChI: InChI=1S/C25H32N8O2S4/c1-13-17(19(34)30(5)6)38-22(26-13)29-23-33(10)16(12-37-23)25(3,4)15-11-36-21(27-15)28-24-32(9)14(2)18(39-24)20(35)31(7)8/h11-12H,1-10H3/b28-24+,29-23+
• InChIKey: RCLOAHVCENGYFO-MCVPTOBASA-N
• XLogP: 4.21
• TPSA: 100.98 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	604.85
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of (2E)-2-[[4-[2-[(2E)-2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]imino]-3-methyl-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]imino]-N,N,3,4-tetramethyl-1,3-thiazole-5-carboxamide (CID 143179857) is (2E)-2-[[4-[2-[(2E)-2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]imino]-3-methyl-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]imino]-N,N,3,4-tetramethyl-1,3-thiazole-5-carboxamide.

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

The canonical SMILES for (2E)-2-[[4-[2-[(2E)-2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]imino]-3-methyl-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]imino]-N,N,3,4-tetramethyl-1,3-thiazole-5-carboxamide is Cc1nc(/N=c2/scc(C(C)(C)c3csc(/N=c4/sc(C(=O)N(C)C)c(C)n4C)n3)n2C)sc1C(=O)N(C)C.

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

The InChIKey is RCLOAHVCENGYFO-MCVPTOBASA-N. The full InChI is InChI=1S/C25H32N8O2S4/c1-13-17(19(34)30(5)6)38-22(26-13)29-23-33(10)16(12-37-23)25(3,4)15-11-36-21(27-15)28-24-32(9)14(2)18(39-24)20(35)31(7)8/h11-12H,1-10H3/b28-24+,29-23+.

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

(2E)-2-[[4-[2-[(2E)-2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]imino]-3-methyl-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]imino]-N,N,3,4-tetramethyl-1,3-thiazole-5-carboxamide has a molecular weight of 604.85 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2E)-2-[[4-[2-[(2E)-2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]imino]-3-methyl-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]imino]-N,N,3,4-tetramethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 143179857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).