2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide

C16H18N6O4S3 — CID 25043706

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide (PubChem CID 25043706) has the molecular formula C16H18N6O4S3 and a molecular weight of 454.56 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide.

Molecular Properties

• Compound Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide
• PubChem CID: 25043706
• Molecular Formula: C16H18N6O4S3
• Molecular Weight: 454.56 g/mol
• Exact Mass: 454.06
• IUPAC Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide
• SMILES: CCC(Sc1nnc(N)s1)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1
• InChI: InChI=1S/C16H18N6O4S3/c1-3-12(27-16-20-19-15(17)28-16)14(23)18-10-4-6-11(7-5-10)29(24,25)22-13-8-9(2)26-21-13/h4-8,12H,3H2,1-2H3,(H2,17,19)(H,18,23)(H,21,22)
• InChIKey: BANGDLCZIFJMAK-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 153.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.56
LogP ≤ 5	2.73
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-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide?

The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide (CID 25043706) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide.

What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide?

The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide is CCC(Sc1nnc(N)s1)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1.

What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide?

The InChIKey is BANGDLCZIFJMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O4S3/c1-3-12(27-16-20-19-15(17)28-16)14(23)18-10-4-6-11(7-5-10)29(24,25)22-13-8-9(2)26-21-13/h4-8,12H,3H2,1-2H3,(H2,17,19)(H,18,23)(H,21,22).

What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide?

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide has a molecular weight of 454.56 g/mol, XLogP of 2.73, 8 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-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide is sourced from PubChem (CID 25043706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).