4-[5-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine

C₂₄H₂₇ClN₄O₃S — CID 118492119

About 4-[5-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine

4-[5-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine (PubChem CID 118492119) has the molecular formula C₂₄H₂₇ClN₄O₃S and a molecular weight of 487.03 g/mol. Its IUPAC name is 4-[5-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 4-[5-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine
• PubChem CID: 118492119
• Molecular Formula: C₂₄H₂₇ClN₄O₃S
• Molecular Weight: 487.03 g/mol
• Exact Mass: 486.15
• IUPAC Name: 4-[5-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine
• SMILES: Nc1cc(N2CCN(CCCCCOc3ccc(-c4ccc(Cl)cc4)cc3)S2(=O)=O)ccn1
• InChI: InChI=1S/C24H27ClN4O3S/c25-21-8-4-19(5-9-21)20-6-10-23(11-7-20)32-17-3-1-2-14-28-15-16-29(33(28,30)31)22-12-13-27-24(26)18-22/h4-13,18H,1-3,14-17H2,(H2,26,27)
• InChIKey: ZSMJSYLPPIPRCB-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 88.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.03
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[5-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine?

The IUPAC name of 4-[5-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine (CID 118492119) is 4-[5-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine.

What is the SMILES notation for 4-[5-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine?

The canonical SMILES for 4-[5-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine is Nc1cc(N2CCN(CCCCCOc3ccc(-c4ccc(Cl)cc4)cc3)S2(=O)=O)ccn1.

What is the InChIKey of 4-[5-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine?

The InChIKey is ZSMJSYLPPIPRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O3S/c25-21-8-4-19(5-9-21)20-6-10-23(11-7-20)32-17-3-1-2-14-28-15-16-29(33(28,30)31)22-12-13-27-24(26)18-22/h4-13,18H,1-3,14-17H2,(H2,26,27).

What are the key properties of 4-[5-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine?

4-[5-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine has a molecular weight of 487.03 g/mol, XLogP of 4.60, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine is sourced from PubChem (CID 118492119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118492119 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.