2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide

C17H18N4O2S2 — CID 55432910

About 2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide

2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 55432910) has the molecular formula C17H18N4O2S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: 2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
• PubChem CID: 55432910
• Molecular Formula: C17H18N4O2S2
• Molecular Weight: 374.49 g/mol
• Exact Mass: 374.09
• IUPAC Name: 2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
• SMILES: CCCc1nnc(NC(=O)c2ccccc2SCc2cc(C)no2)s1
• InChI: InChI=1S/C17H18N4O2S2/c1-3-6-15-19-20-17(25-15)18-16(22)13-7-4-5-8-14(13)24-10-12-9-11(2)21-23-12/h4-5,7-9H,3,6,10H2,1-2H3,(H,18,20,22)
• InChIKey: JYERJGWNOZJNCT-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 80.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.49
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?

The IUPAC name of 2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide (CID 55432910) is 2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide.

What is the SMILES notation for 2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?

The canonical SMILES for 2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide is CCCc1nnc(NC(=O)c2ccccc2SCc2cc(C)no2)s1.

What is the InChIKey of 2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?

The InChIKey is JYERJGWNOZJNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S2/c1-3-6-15-19-20-17(25-15)18-16(22)13-7-4-5-8-14(13)24-10-12-9-11(2)21-23-12/h4-5,7-9H,3,6,10H2,1-2H3,(H,18,20,22).

What are the key properties of 2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?

2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 374.49 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 55432910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).