2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide

C19H15N5O3S2 — CID 55378726

About 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide

2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide (PubChem CID 55378726) has the molecular formula C19H15N5O3S2 and a molecular weight of 425.50 g/mol. Its IUPAC name is 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide.

Molecular Properties

• Compound Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
• PubChem CID: 55378726
• Molecular Formula: C19H15N5O3S2
• Molecular Weight: 425.50 g/mol
• Exact Mass: 425.06
• IUPAC Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
• SMILES: CN1C(=O)c2ccc(NC(=O)CSc3nnc(Nc4ccccc4)s3)cc2C1=O
• InChI: InChI=1S/C19H15N5O3S2/c1-24-16(26)13-8-7-12(9-14(13)17(24)27)20-15(25)10-28-19-23-22-18(29-19)21-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,20,25)(H,21,22)
• InChIKey: XGCSZKCUMYMHJF-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 104.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.50
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide (CID 55378726) is 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide.

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

The canonical SMILES for 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide is CN1C(=O)c2ccc(NC(=O)CSc3nnc(Nc4ccccc4)s3)cc2C1=O.

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

The InChIKey is XGCSZKCUMYMHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3S2/c1-24-16(26)13-8-7-12(9-14(13)17(24)27)20-15(25)10-28-19-23-22-18(29-19)21-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,20,25)(H,21,22).

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

2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide has a molecular weight of 425.50 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide is sourced from PubChem (CID 55378726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).