N-(6-methyl-1,3-benzothiazol-2-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C19H16N4O3S2 — CID 4259947

About N-(6-methyl-1,3-benzothiazol-2-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(6-methyl-1,3-benzothiazol-2-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 4259947) has the molecular formula C19H16N4O3S2 and a molecular weight of 412.50 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzothiazol-2-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
• PubChem CID: 4259947
• Molecular Formula: C19H16N4O3S2
• Molecular Weight: 412.50 g/mol
• Exact Mass: 412.07
• IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
• SMILES: Cc1ccc2nc(NC(=O)CSc3nnc(COc4ccccc4)o3)sc2c1
• InChI: InChI=1S/C19H16N4O3S2/c1-12-7-8-14-15(9-12)28-18(20-14)21-16(24)11-27-19-23-22-17(26-19)10-25-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,20,21,24)
• InChIKey: BWUWBATZWVONRC-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 90.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.50
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

The IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 4259947) is N-(6-methyl-1,3-benzothiazol-2-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

What is the SMILES notation for N-(6-methyl-1,3-benzothiazol-2-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

The canonical SMILES for N-(6-methyl-1,3-benzothiazol-2-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is Cc1ccc2nc(NC(=O)CSc3nnc(COc4ccccc4)o3)sc2c1.

What is the InChIKey of N-(6-methyl-1,3-benzothiazol-2-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

The InChIKey is BWUWBATZWVONRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S2/c1-12-7-8-14-15(9-12)28-18(20-14)21-16(24)11-27-19-23-22-17(26-19)10-25-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,20,21,24).

What are the key properties of N-(6-methyl-1,3-benzothiazol-2-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

N-(6-methyl-1,3-benzothiazol-2-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 412.50 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-methyl-1,3-benzothiazol-2-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 4259947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).