4-hydroxy-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide

C23H20N6O3S2 — CID 138607223

IUPAC4-hydroxy-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCNc1nccc(-c2c(-c3ccccc3)nc3sccn23)n1)c1ccc(O)cc1
InChIInChI=1S/C23H20N6O3S2/c30-17-6-8-18(9-7-17)34(31,32)26-13-12-25-22-24-11-10-19(27-22)21-20(16-4-2-1-3-5-16)28-23-29(21)14-15-33-23/h1-11,14-15,26,30H,12-13H2,(H,24,25,27)
InChIKeyFEWMZSLBPULECY-UHFFFAOYSA-N
MW492.59 g/mol
LogP3.62
Rot. Bonds8

About 4-hydroxy-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide

4-hydroxy-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide (PubChem CID 138607223) has the molecular formula C23H20N6O3S2 and a molecular weight of 492.59 g/mol. Its IUPAC name is 4-hydroxy-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-hydroxy-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
PubChem CID138607223
Molecular FormulaC23H20N6O3S2
Molecular Weight492.59 g/mol
Exact Mass492.10
IUPAC Name4-hydroxy-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCNc1nccc(-c2c(-c3ccccc3)nc3sccn23)n1)c1ccc(O)cc1
InChIInChI=1S/C23H20N6O3S2/c30-17-6-8-18(9-7-17)34(31,32)26-13-12-25-22-24-11-10-19(27-22)21-20(16-4-2-1-3-5-16)28-23-29(21)14-15-33-23/h1-11,14-15,26,30H,12-13H2,(H,24,25,27)
InChIKeyFEWMZSLBPULECY-UHFFFAOYSA-N
XLogP3.62
TPSA121.51 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.59
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-hydroxy-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide (CID 138607223) is 4-hydroxy-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-hydroxy-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-hydroxy-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide is O=S(=O)(NCCNc1nccc(-c2c(-c3ccccc3)nc3sccn23)n1)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is FEWMZSLBPULECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O3S2/c30-17-6-8-18(9-7-17)34(31,32)26-13-12-25-22-24-11-10-19(27-22)21-20(16-4-2-1-3-5-16)28-23-29(21)14-15-33-23/h1-11,14-15,26,30H,12-13H2,(H,24,25,27).
What are the key properties of 4-hydroxy-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide?
4-hydroxy-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 492.59 g/mol, XLogP of 3.62, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 138607223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).