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

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

4-hydroxy-N-[2-[[4-[6-(4-hydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]benzenesulfonamide (PubChem CID 138607160) has the molecular formula C23H20N6O4S2 and a molecular weight of 508.59 g/mol. Its IUPAC name is 4-hydroxy-N-[2-[[4-[6-(4-hydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name	4-hydroxy-N-[2-[[4-[6-(4-hydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
PubChem CID	138607160
Molecular Formula	C23H20N6O4S2
Molecular Weight	508.59 g/mol
Exact Mass	508.10
IUPAC Name	4-hydroxy-N-[2-[[4-[6-(4-hydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
SMILES	O=S(=O)(NCCNc1nccc(-c2c(-c3ccc(O)cc3)nc3sccn23)n1)c1ccc(O)cc1
InChI	InChI=1S/C23H20N6O4S2/c30-16-3-1-15(2-4-16)20-21(29-13-14-34-23(29)28-20)19-9-10-24-22(27-19)25-11-12-26-35(32,33)18-7-5-17(31)6-8-18/h1-10,13-14,26,30-31H,11-12H2,(H,24,25,27)
InChIKey	WKTMBOPITJTLSW-UHFFFAOYSA-N
XLogP	3.32
TPSA	141.74 Å²
H-Bond Donors	4
H-Bond Acceptors	10
Rotatable Bonds	8
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.59
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

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

The IUPAC name of 4-hydroxy-N-[2-[[4-[6-(4-hydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]benzenesulfonamide (CID 138607160) is 4-hydroxy-N-[2-[[4-[6-(4-hydroxyphenyl)imidazo[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-(4-hydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]benzenesulfonamide?

The canonical SMILES for 4-hydroxy-N-[2-[[4-[6-(4-hydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]benzenesulfonamide is O=S(=O)(NCCNc1nccc(-c2c(-c3ccc(O)cc3)nc3sccn23)n1)c1ccc(O)cc1.

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

The InChIKey is WKTMBOPITJTLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O4S2/c30-16-3-1-15(2-4-16)20-21(29-13-14-34-23(29)28-20)19-9-10-24-22(27-19)25-11-12-26-35(32,33)18-7-5-17(31)6-8-18/h1-10,13-14,26,30-31H,11-12H2,(H,24,25,27).

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

4-hydroxy-N-[2-[[4-[6-(4-hydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 508.59 g/mol, XLogP of 3.32, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-N-[2-[[4-[6-(4-hydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 138607160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).