(3R)-3-[5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thiolane 1,1-dioxide

C16H17N5O4S2 — CID 25363708

About (3R)-3-[5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thiolane 1,1-dioxide

(3R)-3-[5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thiolane 1,1-dioxide (PubChem CID 25363708) has the molecular formula C16H17N5O4S2 and a molecular weight of 407.48 g/mol. Its IUPAC name is (3R)-3-[5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thiolane 1,1-dioxide.

Molecular Properties

• Compound Name: (3R)-3-[5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thiolane 1,1-dioxide
• PubChem CID: 25363708
• Molecular Formula: C16H17N5O4S2
• Molecular Weight: 407.48 g/mol
• Exact Mass: 407.07
• IUPAC Name: (3R)-3-[5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thiolane 1,1-dioxide
• SMILES: C=CCn1c(SCc2nnc(-c3ccco3)o2)nnc1[C@H]1CCS(=O)(=O)C1
• InChI: InChI=1S/C16H17N5O4S2/c1-2-6-21-14(11-5-8-27(22,23)10-11)18-20-16(21)26-9-13-17-19-15(25-13)12-4-3-7-24-12/h2-4,7,11H,1,5-6,8-10H2/t11-/m0/s1
• InChIKey: OIBGSLTWGQJISG-NSHDSACASA-N
• XLogP: 2.30
• TPSA: 116.91 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.48
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thiolane 1,1-dioxide?

The IUPAC name of (3R)-3-[5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thiolane 1,1-dioxide (CID 25363708) is (3R)-3-[5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thiolane 1,1-dioxide.

What is the SMILES notation for (3R)-3-[5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thiolane 1,1-dioxide?

The canonical SMILES for (3R)-3-[5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thiolane 1,1-dioxide is C=CCn1c(SCc2nnc(-c3ccco3)o2)nnc1[C@H]1CCS(=O)(=O)C1.

What is the InChIKey of (3R)-3-[5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thiolane 1,1-dioxide?

The InChIKey is OIBGSLTWGQJISG-NSHDSACASA-N. The full InChI is InChI=1S/C16H17N5O4S2/c1-2-6-21-14(11-5-8-27(22,23)10-11)18-20-16(21)26-9-13-17-19-15(25-13)12-4-3-7-24-12/h2-4,7,11H,1,5-6,8-10H2/t11-/m0/s1.

What are the key properties of (3R)-3-[5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thiolane 1,1-dioxide?

(3R)-3-[5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thiolane 1,1-dioxide has a molecular weight of 407.48 g/mol, XLogP of 2.30, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thiolane 1,1-dioxide is sourced from PubChem (CID 25363708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).