N-cyclopropyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide

C₁₁H₁₇N₃OS — CID 64863739

About N-cyclopropyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide

N-cyclopropyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide (PubChem CID 64863739) has the molecular formula C₁₁H₁₇N₃OS and a molecular weight of 239.34 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide.

Molecular Properties

• Compound Name: N-cyclopropyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide
• PubChem CID: 64863739
• Molecular Formula: C₁₁H₁₇N₃OS
• Molecular Weight: 239.34 g/mol
• Exact Mass: 239.11
• IUPAC Name: N-cyclopropyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide
• SMILES: CC(C)c1c[nH]c(=S)n1CC(=O)NC1CC1
• InChI: InChI=1S/C11H17N3OS/c1-7(2)9-5-12-11(16)14(9)6-10(15)13-8-3-4-8/h5,7-8H,3-4,6H2,1-2H3,(H,12,16)(H,13,15)
• InChIKey: MBNKADQZDORMIK-UHFFFAOYSA-N
• XLogP: 1.95
• TPSA: 49.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	239.34
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide?

The IUPAC name of N-cyclopropyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide (CID 64863739) is N-cyclopropyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide.

What is the SMILES notation for N-cyclopropyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide?

The canonical SMILES for N-cyclopropyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide is CC(C)c1c[nH]c(=S)n1CC(=O)NC1CC1.

What is the InChIKey of N-cyclopropyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide?

The InChIKey is MBNKADQZDORMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-7(2)9-5-12-11(16)14(9)6-10(15)13-8-3-4-8/h5,7-8H,3-4,6H2,1-2H3,(H,12,16)(H,13,15).

What are the key properties of N-cyclopropyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide?

N-cyclopropyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide has a molecular weight of 239.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide is sourced from PubChem (CID 64863739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 64863739 — identifiers, structure, computed properties (public domain)

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