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

C23H19FN6O2S2 — CID 138607166

IUPAC4-fluoro-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(F)cc1
InChIInChI=1S/C23H19FN6O2S2/c24-17-6-8-18(9-7-17)34(31,32)27-13-12-26-22-25-11-10-19(28-22)21-20(16-4-2-1-3-5-16)29-23-30(21)14-15-33-23/h1-11,14-15,27H,12-13H2,(H,25,26,28)
InChIKeySBUZNMQCWNZGOV-UHFFFAOYSA-N
MW494.58 g/mol
LogP4.05
Rot. Bonds8

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

4-fluoro-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide (PubChem CID 138607166) has the molecular formula C23H19FN6O2S2 and a molecular weight of 494.58 g/mol. Its IUPAC name is 4-fluoro-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
PubChem CID138607166
Molecular FormulaC23H19FN6O2S2
Molecular Weight494.58 g/mol
Exact Mass494.10
IUPAC Name4-fluoro-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(F)cc1
InChIInChI=1S/C23H19FN6O2S2/c24-17-6-8-18(9-7-17)34(31,32)27-13-12-26-22-25-11-10-19(28-22)21-20(16-4-2-1-3-5-16)29-23-30(21)14-15-33-23/h1-11,14-15,27H,12-13H2,(H,25,26,28)
InChIKeySBUZNMQCWNZGOV-UHFFFAOYSA-N
XLogP4.05
TPSA101.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.58
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide (CID 138607166) is 4-fluoro-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-fluoro-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-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(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is SBUZNMQCWNZGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN6O2S2/c24-17-6-8-18(9-7-17)34(31,32)27-13-12-26-22-25-11-10-19(28-22)21-20(16-4-2-1-3-5-16)29-23-30(21)14-15-33-23/h1-11,14-15,27H,12-13H2,(H,25,26,28).
What are the key properties of 4-fluoro-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide?
4-fluoro-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 494.58 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 138607166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).