2-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide

C17H16N4O3S3 — CID 16898920

About 2-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 16898920) has the molecular formula C17H16N4O3S3 and a molecular weight of 420.54 g/mol. Its IUPAC name is 2-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide
• PubChem CID: 16898920
• Molecular Formula: C17H16N4O3S3
• Molecular Weight: 420.54 g/mol
• Exact Mass: 420.04
• IUPAC Name: 2-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide
• SMILES: COc1cccc(NC(=O)CSc2nc(CC(=O)Nc3nccs3)cs2)c1
• InChI: InChI=1S/C17H16N4O3S3/c1-24-13-4-2-3-11(7-13)19-15(23)10-27-17-20-12(9-26-17)8-14(22)21-16-18-5-6-25-16/h2-7,9H,8,10H2,1H3,(H,19,23)(H,18,21,22)
• InChIKey: HXWJSDUGSATQEM-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 93.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.54
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide?

The IUPAC name of 2-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 16898920) is 2-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for 2-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide is COc1cccc(NC(=O)CSc2nc(CC(=O)Nc3nccs3)cs2)c1.

What is the InChIKey of 2-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide?

The InChIKey is HXWJSDUGSATQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S3/c1-24-13-4-2-3-11(7-13)19-15(23)10-27-17-20-12(9-26-17)8-14(22)21-16-18-5-6-25-16/h2-7,9H,8,10H2,1H3,(H,19,23)(H,18,21,22).

What are the key properties of 2-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide?

2-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 420.54 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 16898920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).