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

C22H22FN5S — CID 44579351

IUPAC6-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole
SMILESCN1CCN(Cc2cn3c(-c4ccncc4)c(-c4ccc(F)cc4)nc3s2)CC1
InChIInChI=1S/C22H22FN5S/c1-26-10-12-27(13-11-26)14-19-15-28-21(17-6-8-24-9-7-17)20(25-22(28)29-19)16-2-4-18(23)5-3-16/h2-9,15H,10-14H2,1H3
InChIKeyUTWJMSRNZUWNLW-UHFFFAOYSA-N
MW407.52 g/mol
LogP4.01
Rot. Bonds4

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

6-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole (PubChem CID 44579351) has the molecular formula C22H22FN5S and a molecular weight of 407.52 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole
PubChem CID44579351
Molecular FormulaC22H22FN5S
Molecular Weight407.52 g/mol
Exact Mass407.16
IUPAC Name6-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole
SMILESCN1CCN(Cc2cn3c(-c4ccncc4)c(-c4ccc(F)cc4)nc3s2)CC1
InChIInChI=1S/C22H22FN5S/c1-26-10-12-27(13-11-26)14-19-15-28-21(17-6-8-24-9-7-17)20(25-22(28)29-19)16-2-4-18(23)5-3-16/h2-9,15H,10-14H2,1H3
InChIKeyUTWJMSRNZUWNLW-UHFFFAOYSA-N
XLogP4.01
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole (CID 44579351) is 6-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole is CN1CCN(Cc2cn3c(-c4ccncc4)c(-c4ccc(F)cc4)nc3s2)CC1.
What is the InChIKey of 6-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole?
The InChIKey is UTWJMSRNZUWNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5S/c1-26-10-12-27(13-11-26)14-19-15-28-21(17-6-8-24-9-7-17)20(25-22(28)29-19)16-2-4-18(23)5-3-16/h2-9,15H,10-14H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole?
6-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole has a molecular weight of 407.52 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 44579351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).