N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide

C14H23N3OS2 — CID 103720333

About N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (PubChem CID 103720333) has the molecular formula C14H23N3OS2 and a molecular weight of 313.49 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.

Molecular Properties

• Compound Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
• PubChem CID: 103720333
• Molecular Formula: C14H23N3OS2
• Molecular Weight: 313.49 g/mol
• Exact Mass: 313.13
• IUPAC Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
• SMILES: CCN1CCCC1CN(C)C(=O)Cc1sc(=S)[nH]c1C
• InChI: InChI=1S/C14H23N3OS2/c1-4-17-7-5-6-11(17)9-16(3)13(18)8-12-10(2)15-14(19)20-12/h11H,4-9H2,1-3H3,(H,15,19)
• InChIKey: LOGKBQSZLQGJIM-UHFFFAOYSA-N
• XLogP: 2.60
• TPSA: 39.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	313.49
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?

The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (CID 103720333) is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.

What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?

The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is CCN1CCCC1CN(C)C(=O)Cc1sc(=S)[nH]c1C.

What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?

The InChIKey is LOGKBQSZLQGJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS2/c1-4-17-7-5-6-11(17)9-16(3)13(18)8-12-10(2)15-14(19)20-12/h11H,4-9H2,1-3H3,(H,15,19).

What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?

N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide has a molecular weight of 313.49 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 103720333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).