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

C18H17N5O3S3 — CID 16898640

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

2-[2-[2-(3-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 16898640) has the molecular formula C18H17N5O3S3 and a molecular weight of 447.57 g/mol. Its IUPAC name is 2-[2-[2-(3-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[2-[2-(3-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide
• PubChem CID: 16898640
• Molecular Formula: C18H17N5O3S3
• Molecular Weight: 447.57 g/mol
• Exact Mass: 447.05
• IUPAC Name: 2-[2-[2-(3-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide
• SMILES: CC(=O)Nc1cccc(NC(=O)CSc2nc(CC(=O)Nc3nccs3)cs2)c1
• InChI: InChI=1S/C18H17N5O3S3/c1-11(24)20-12-3-2-4-13(7-12)21-16(26)10-29-18-22-14(9-28-18)8-15(25)23-17-19-5-6-27-17/h2-7,9H,8,10H2,1H3,(H,20,24)(H,21,26)(H,19,23,25)
• InChIKey: NJGZWXJNBXPECT-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 113.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.57
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[2-[2-(3-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 16898640) is 2-[2-[2-(3-acetamidoanilino)-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-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-[2-[2-(3-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide is CC(=O)Nc1cccc(NC(=O)CSc2nc(CC(=O)Nc3nccs3)cs2)c1.

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

The InChIKey is NJGZWXJNBXPECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3S3/c1-11(24)20-12-3-2-4-13(7-12)21-16(26)10-29-18-22-14(9-28-18)8-15(25)23-17-19-5-6-27-17/h2-7,9H,8,10H2,1H3,(H,20,24)(H,21,26)(H,19,23,25).

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

2-[2-[2-(3-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 447.57 g/mol, XLogP of 3.47, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-(3-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 16898640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).