N-(2-methoxy-5-methylphenyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C18H20N4O2S3 — CID 46664702

About N-(2-methoxy-5-methylphenyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

N-(2-methoxy-5-methylphenyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 46664702) has the molecular formula C18H20N4O2S3 and a molecular weight of 420.59 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(2-methoxy-5-methylphenyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
• PubChem CID: 46664702
• Molecular Formula: C18H20N4O2S3
• Molecular Weight: 420.59 g/mol
• Exact Mass: 420.07
• IUPAC Name: N-(2-methoxy-5-methylphenyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
• SMILES: COc1ccc(C)cc1NC(=O)CSc1nnc(NCCc2cccs2)s1
• InChI: InChI=1S/C18H20N4O2S3/c1-12-5-6-15(24-2)14(10-12)20-16(23)11-26-18-22-21-17(27-18)19-8-7-13-4-3-9-25-13/h3-6,9-10H,7-8,11H2,1-2H3,(H,19,21)(H,20,23)
• InChIKey: CAMHBZZREOXSJA-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 76.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.59
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?

The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 46664702) is N-(2-methoxy-5-methylphenyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?

The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is COc1ccc(C)cc1NC(=O)CSc1nnc(NCCc2cccs2)s1.

What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?

The InChIKey is CAMHBZZREOXSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S3/c1-12-5-6-15(24-2)14(10-12)20-16(23)11-26-18-22-21-17(27-18)19-8-7-13-4-3-9-25-13/h3-6,9-10H,7-8,11H2,1-2H3,(H,19,21)(H,20,23).

What are the key properties of N-(2-methoxy-5-methylphenyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?

N-(2-methoxy-5-methylphenyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 420.59 g/mol, XLogP of 4.30, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxy-5-methylphenyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 46664702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).