2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

C13H12N6O3S4 — CID 2295496

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 2295496) has the molecular formula C13H12N6O3S4 and a molecular weight of 428.55 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
• PubChem CID: 2295496
• Molecular Formula: C13H12N6O3S4
• Molecular Weight: 428.55 g/mol
• Exact Mass: 427.99
• IUPAC Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
• SMILES: Nc1nnc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)s1
• InChI: InChI=1S/C13H12N6O3S4/c14-11-17-18-13(25-11)24-7-10(20)16-8-1-3-9(4-2-8)26(21,22)19-12-15-5-6-23-12/h1-6H,7H2,(H2,14,17)(H,15,19)(H,16,20)
• InChIKey: RVBJJWZFBPQDCI-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 139.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.55
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?

The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide (CID 2295496) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.

What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?

The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is Nc1nnc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)s1.

What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?

The InChIKey is RVBJJWZFBPQDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O3S4/c14-11-17-18-13(25-11)24-7-10(20)16-8-1-3-9(4-2-8)26(21,22)19-12-15-5-6-23-12/h1-6H,7H2,(H2,14,17)(H,15,19)(H,16,20).

What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 428.55 g/mol, XLogP of 2.11, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 2295496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).