N-methoxy-2-[8-[4-[methoxy(methyl)carbamoyl]-1,3-thiazol-2-yl]octyl]-N-methyl-1,3-thiazole-4-carboxamide

C20H30N4O4S2 — CID 134850734

About N-methoxy-2-[8-[4-[methoxy(methyl)carbamoyl]-1,3-thiazol-2-yl]octyl]-N-methyl-1,3-thiazole-4-carboxamide

N-methoxy-2-[8-[4-[methoxy(methyl)carbamoyl]-1,3-thiazol-2-yl]octyl]-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 134850734) has the molecular formula C20H30N4O4S2 and a molecular weight of 454.62 g/mol. Its IUPAC name is N-methoxy-2-[8-[4-[methoxy(methyl)carbamoyl]-1,3-thiazol-2-yl]octyl]-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-methoxy-2-[8-[4-[methoxy(methyl)carbamoyl]-1,3-thiazol-2-yl]octyl]-N-methyl-1,3-thiazole-4-carboxamide
• PubChem CID: 134850734
• Molecular Formula: C20H30N4O4S2
• Molecular Weight: 454.62 g/mol
• Exact Mass: 454.17
• IUPAC Name: N-methoxy-2-[8-[4-[methoxy(methyl)carbamoyl]-1,3-thiazol-2-yl]octyl]-N-methyl-1,3-thiazole-4-carboxamide
• SMILES: CON(C)C(=O)c1csc(CCCCCCCCc2nc(C(=O)N(C)OC)cs2)n1
• InChI: InChI=1S/C20H30N4O4S2/c1-23(27-3)19(25)15-13-29-17(21-15)11-9-7-5-6-8-10-12-18-22-16(14-30-18)20(26)24(2)28-4/h13-14H,5-12H2,1-4H3
• InChIKey: PKNIVKROQIKLQT-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 84.86 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.62
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-[8-[4-[methoxy(methyl)carbamoyl]-1,3-thiazol-2-yl]octyl]-N-methyl-1,3-thiazole-4-carboxamide?

The IUPAC name of N-methoxy-2-[8-[4-[methoxy(methyl)carbamoyl]-1,3-thiazol-2-yl]octyl]-N-methyl-1,3-thiazole-4-carboxamide (CID 134850734) is N-methoxy-2-[8-[4-[methoxy(methyl)carbamoyl]-1,3-thiazol-2-yl]octyl]-N-methyl-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-methoxy-2-[8-[4-[methoxy(methyl)carbamoyl]-1,3-thiazol-2-yl]octyl]-N-methyl-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-methoxy-2-[8-[4-[methoxy(methyl)carbamoyl]-1,3-thiazol-2-yl]octyl]-N-methyl-1,3-thiazole-4-carboxamide is CON(C)C(=O)c1csc(CCCCCCCCc2nc(C(=O)N(C)OC)cs2)n1.

What is the InChIKey of N-methoxy-2-[8-[4-[methoxy(methyl)carbamoyl]-1,3-thiazol-2-yl]octyl]-N-methyl-1,3-thiazole-4-carboxamide?

The InChIKey is PKNIVKROQIKLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4S2/c1-23(27-3)19(25)15-13-29-17(21-15)11-9-7-5-6-8-10-12-18-22-16(14-30-18)20(26)24(2)28-4/h13-14H,5-12H2,1-4H3.

What are the key properties of N-methoxy-2-[8-[4-[methoxy(methyl)carbamoyl]-1,3-thiazol-2-yl]octyl]-N-methyl-1,3-thiazole-4-carboxamide?

N-methoxy-2-[8-[4-[methoxy(methyl)carbamoyl]-1,3-thiazol-2-yl]octyl]-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 454.62 g/mol, XLogP of 3.99, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-methoxy-2-[8-[4-[methoxy(methyl)carbamoyl]-1,3-thiazol-2-yl]octyl]-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 134850734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).