[6-(4-fluorophenyl)-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone

C22H20FN5OS — CID 44579405

IUPAC[6-(4-fluorophenyl)-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cn3c(-c4ccncc4)c(-c4ccc(F)cc4)nc3s2)CC1
InChIInChI=1S/C22H20FN5OS/c1-26-10-12-27(13-11-26)21(29)18-14-28-20(16-6-8-24-9-7-16)19(25-22(28)30-18)15-2-4-17(23)5-3-15/h2-9,14H,10-13H2,1H3
InChIKeyVIDDWUVOLJHDFK-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.65
Rot. Bonds3

About [6-(4-fluorophenyl)-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone

[6-(4-fluorophenyl)-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 44579405) has the molecular formula C22H20FN5OS and a molecular weight of 421.50 g/mol. Its IUPAC name is [6-(4-fluorophenyl)-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(4-fluorophenyl)-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID44579405
Molecular FormulaC22H20FN5OS
Molecular Weight421.50 g/mol
Exact Mass421.14
IUPAC Name[6-(4-fluorophenyl)-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cn3c(-c4ccncc4)c(-c4ccc(F)cc4)nc3s2)CC1
InChIInChI=1S/C22H20FN5OS/c1-26-10-12-27(13-11-26)21(29)18-14-28-20(16-6-8-24-9-7-16)19(25-22(28)30-18)15-2-4-17(23)5-3-15/h2-9,14H,10-13H2,1H3
InChIKeyVIDDWUVOLJHDFK-UHFFFAOYSA-N
XLogP3.65
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-(4-fluorophenyl)-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [6-(4-fluorophenyl)-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone (CID 44579405) is [6-(4-fluorophenyl)-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(4-fluorophenyl)-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(4-fluorophenyl)-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cn3c(-c4ccncc4)c(-c4ccc(F)cc4)nc3s2)CC1.
What is the InChIKey of [6-(4-fluorophenyl)-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is VIDDWUVOLJHDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5OS/c1-26-10-12-27(13-11-26)21(29)18-14-28-20(16-6-8-24-9-7-16)19(25-22(28)30-18)15-2-4-17(23)5-3-15/h2-9,14H,10-13H2,1H3.
What are the key properties of [6-(4-fluorophenyl)-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone?
[6-(4-fluorophenyl)-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 421.50 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-fluorophenyl)-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 44579405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).