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

C13H15N3OS3 — CID 99618785

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

N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (PubChem CID 99618785) has the molecular formula C13H15N3OS3 and a molecular weight of 325.48 g/mol. Its IUPAC name is N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.

Molecular Properties

• Compound Name: N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
• PubChem CID: 99618785
• Molecular Formula: C13H15N3OS3
• Molecular Weight: 325.48 g/mol
• Exact Mass: 325.04
• IUPAC Name: N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
• SMILES: Cc1[nH]c(=S)sc1CC(=O)NCc1nc(C2CC2)cs1
• InChI: InChI=1S/C13H15N3OS3/c1-7-10(20-13(18)15-7)4-11(17)14-5-12-16-9(6-19-12)8-2-3-8/h6,8H,2-5H2,1H3,(H,14,17)(H,15,18)
• InChIKey: QAZDQVKGQMIFEF-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 57.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	325.48
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (CID 99618785) is N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.

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

The canonical SMILES for N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is Cc1[nH]c(=S)sc1CC(=O)NCc1nc(C2CC2)cs1.

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

The InChIKey is QAZDQVKGQMIFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS3/c1-7-10(20-13(18)15-7)4-11(17)14-5-12-16-9(6-19-12)8-2-3-8/h6,8H,2-5H2,1H3,(H,14,17)(H,15,18).

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

N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide has a molecular weight of 325.48 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 99618785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).