4-chloro-N-[2-[[4-[6-(3-hydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide

C24H20ClN5O3S2 — CID 167529818

About 4-chloro-N-[2-[[4-[6-(3-hydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide

4-chloro-N-[2-[[4-[6-(3-hydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide (PubChem CID 167529818) has the molecular formula C24H20ClN5O3S2 and a molecular weight of 526.04 g/mol. Its IUPAC name is 4-chloro-N-[2-[[4-[6-(3-hydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-chloro-N-[2-[[4-[6-(3-hydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide
• PubChem CID: 167529818
• Molecular Formula: C24H20ClN5O3S2
• Molecular Weight: 526.04 g/mol
• Exact Mass: 525.07
• IUPAC Name: 4-chloro-N-[2-[[4-[6-(3-hydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide
• SMILES: O=S(=O)(NCCNc1cc(-c2c(-c3cccc(O)c3)nc3sccn23)ccn1)c1ccc(Cl)cc1
• InChI: InChI=1S/C24H20ClN5O3S2/c25-18-4-6-20(7-5-18)35(32,33)28-11-10-27-21-15-17(8-9-26-21)23-22(16-2-1-3-19(31)14-16)29-24-30(23)12-13-34-24/h1-9,12-15,28,31H,10-11H2,(H,26,27)
• InChIKey: GWFHLSAGPPQUQS-UHFFFAOYSA-N
• XLogP: 4.87
• TPSA: 108.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.04
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[[4-[6-(3-hydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide?

The IUPAC name of 4-chloro-N-[2-[[4-[6-(3-hydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide (CID 167529818) is 4-chloro-N-[2-[[4-[6-(3-hydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide.

What is the SMILES notation for 4-chloro-N-[2-[[4-[6-(3-hydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide?

The canonical SMILES for 4-chloro-N-[2-[[4-[6-(3-hydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide is O=S(=O)(NCCNc1cc(-c2c(-c3cccc(O)c3)nc3sccn23)ccn1)c1ccc(Cl)cc1.

What is the InChIKey of 4-chloro-N-[2-[[4-[6-(3-hydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide?

The InChIKey is GWFHLSAGPPQUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O3S2/c25-18-4-6-20(7-5-18)35(32,33)28-11-10-27-21-15-17(8-9-26-21)23-22(16-2-1-3-19(31)14-16)29-24-30(23)12-13-34-24/h1-9,12-15,28,31H,10-11H2,(H,26,27).

What are the key properties of 4-chloro-N-[2-[[4-[6-(3-hydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide?

4-chloro-N-[2-[[4-[6-(3-hydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide has a molecular weight of 526.04 g/mol, XLogP of 4.87, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[2-[[4-[6-(3-hydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 167529818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).