2-ethyl-4-methyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-1,3-thiazole-5-carboxamide

C13H18N4OS3 — CID 74236937

About 2-ethyl-4-methyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-1,3-thiazole-5-carboxamide

2-ethyl-4-methyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-1,3-thiazole-5-carboxamide (PubChem CID 74236937) has the molecular formula C13H18N4OS3 and a molecular weight of 342.52 g/mol. Its IUPAC name is 2-ethyl-4-methyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-ethyl-4-methyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 74236937
• Molecular Formula: C13H18N4OS3
• Molecular Weight: 342.52 g/mol
• Exact Mass: 342.06
• IUPAC Name: 2-ethyl-4-methyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-1,3-thiazole-5-carboxamide
• SMILES: CCc1nc(C)c(C(=O)NCCCSc2nnc(C)s2)s1
• InChI: InChI=1S/C13H18N4OS3/c1-4-10-15-8(2)11(21-10)12(18)14-6-5-7-19-13-17-16-9(3)20-13/h4-7H2,1-3H3,(H,14,18)
• InChIKey: OMXDYKNSSGINJN-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 67.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.52
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-1,3-thiazole-5-carboxamide?

The IUPAC name of 2-ethyl-4-methyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-1,3-thiazole-5-carboxamide (CID 74236937) is 2-ethyl-4-methyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2-ethyl-4-methyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2-ethyl-4-methyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-1,3-thiazole-5-carboxamide is CCc1nc(C)c(C(=O)NCCCSc2nnc(C)s2)s1.

What is the InChIKey of 2-ethyl-4-methyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-1,3-thiazole-5-carboxamide?

The InChIKey is OMXDYKNSSGINJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS3/c1-4-10-15-8(2)11(21-10)12(18)14-6-5-7-19-13-17-16-9(3)20-13/h4-7H2,1-3H3,(H,14,18).

What are the key properties of 2-ethyl-4-methyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-1,3-thiazole-5-carboxamide?

2-ethyl-4-methyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-1,3-thiazole-5-carboxamide has a molecular weight of 342.52 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-4-methyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 74236937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).