2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide

C15H15N5O3S3 — CID 2090004

About 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide

2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide (PubChem CID 2090004) has the molecular formula C15H15N5O3S3 and a molecular weight of 409.52 g/mol. Its IUPAC name is 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
• PubChem CID: 2090004
• Molecular Formula: C15H15N5O3S3
• Molecular Weight: 409.52 g/mol
• Exact Mass: 409.03
• IUPAC Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
• SMILES: O=C(CSc1nnc(Nc2ccccc2)s1)NCCN1C(=O)CSC1=O
• InChI: InChI=1S/C15H15N5O3S3/c21-11(16-6-7-20-12(22)9-25-15(20)23)8-24-14-19-18-13(26-14)17-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,16,21)(H,17,18)
• InChIKey: IPYYPNXNDRADBC-UHFFFAOYSA-N
• XLogP: 2.19
• TPSA: 104.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.52
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide?

The IUPAC name of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide (CID 2090004) is 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide.

What is the SMILES notation for 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide?

The canonical SMILES for 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide is O=C(CSc1nnc(Nc2ccccc2)s1)NCCN1C(=O)CSC1=O.

What is the InChIKey of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide?

The InChIKey is IPYYPNXNDRADBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S3/c21-11(16-6-7-20-12(22)9-25-15(20)23)8-24-14-19-18-13(26-14)17-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,16,21)(H,17,18).

What are the key properties of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide?

2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide has a molecular weight of 409.52 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide is sourced from PubChem (CID 2090004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).