(2R)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide

C11H14N4O3S3 — CID 8890353

About (2R)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide

(2R)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide (PubChem CID 8890353) has the molecular formula C11H14N4O3S3 and a molecular weight of 346.46 g/mol. Its IUPAC name is (2R)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

• Compound Name: (2R)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
• PubChem CID: 8890353
• Molecular Formula: C11H14N4O3S3
• Molecular Weight: 346.46 g/mol
• Exact Mass: 346.02
• IUPAC Name: (2R)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
• SMILES: Cc1nnc(S[C@H](C)C(=O)NCCN2C(=O)CSC2=O)s1
• InChI: InChI=1S/C11H14N4O3S3/c1-6(20-10-14-13-7(2)21-10)9(17)12-3-4-15-8(16)5-19-11(15)18/h6H,3-5H2,1-2H3,(H,12,17)/t6-/m1/s1
• InChIKey: PFHGDMUFJXOLNF-ZCFIWIBFSA-N
• XLogP: 1.14
• TPSA: 92.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.46
LogP ≤ 5	1.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (2R)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide (CID 8890353) is (2R)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide.

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

The canonical SMILES for (2R)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide is Cc1nnc(S[C@H](C)C(=O)NCCN2C(=O)CSC2=O)s1.

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

The InChIKey is PFHGDMUFJXOLNF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H14N4O3S3/c1-6(20-10-14-13-7(2)21-10)9(17)12-3-4-15-8(16)5-19-11(15)18/h6H,3-5H2,1-2H3,(H,12,17)/t6-/m1/s1.

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

(2R)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide has a molecular weight of 346.46 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 8890353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).