3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]propanamide

C14H13ClN6O4S2 — CID 55818368

About 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]propanamide

3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 55818368) has the molecular formula C14H13ClN6O4S2 and a molecular weight of 428.88 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]propanamide
• PubChem CID: 55818368
• Molecular Formula: C14H13ClN6O4S2
• Molecular Weight: 428.88 g/mol
• Exact Mass: 428.01
• IUPAC Name: 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]propanamide
• SMILES: CS(=O)(=O)Nc1nnc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)s1
• InChI: InChI=1S/C14H13ClN6O4S2/c1-27(23,24)21-14-19-18-13(26-14)16-10(22)6-7-11-17-12(20-25-11)8-2-4-9(15)5-3-8/h2-5H,6-7H2,1H3,(H,19,21)(H,16,18,22)
• InChIKey: MEQMUCZBWCQJQH-UHFFFAOYSA-N
• XLogP: 2.18
• TPSA: 139.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.88
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]propanamide?

The IUPAC name of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]propanamide (CID 55818368) is 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]propanamide.

What is the SMILES notation for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]propanamide?

The canonical SMILES for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]propanamide is CS(=O)(=O)Nc1nnc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)s1.

What is the InChIKey of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]propanamide?

The InChIKey is MEQMUCZBWCQJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN6O4S2/c1-27(23,24)21-14-19-18-13(26-14)16-10(22)6-7-11-17-12(20-25-11)8-2-4-9(15)5-3-8/h2-5H,6-7H2,1H3,(H,19,21)(H,16,18,22).

What are the key properties of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]propanamide?

3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 428.88 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 55818368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).