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

C21H21FN6S — CID 44579349

IUPAC6-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]-5-pyrimidin-4-ylimidazo[2,1-b][1,3]thiazole
SMILESCN1CCN(Cc2cn3c(-c4ccncn4)c(-c4ccc(F)cc4)nc3s2)CC1
InChIInChI=1S/C21H21FN6S/c1-26-8-10-27(11-9-26)12-17-13-28-20(18-6-7-23-14-24-18)19(25-21(28)29-17)15-2-4-16(22)5-3-15/h2-7,13-14H,8-12H2,1H3
InChIKeyFGXOWMMGBPGWLS-UHFFFAOYSA-N
MW408.51 g/mol
LogP3.41
Rot. Bonds4

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

6-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]-5-pyrimidin-4-ylimidazo[2,1-b][1,3]thiazole (PubChem CID 44579349) has the molecular formula C21H21FN6S and a molecular weight of 408.51 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]-5-pyrimidin-4-ylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]-5-pyrimidin-4-ylimidazo[2,1-b][1,3]thiazole
PubChem CID44579349
Molecular FormulaC21H21FN6S
Molecular Weight408.51 g/mol
Exact Mass408.15
IUPAC Name6-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]-5-pyrimidin-4-ylimidazo[2,1-b][1,3]thiazole
SMILESCN1CCN(Cc2cn3c(-c4ccncn4)c(-c4ccc(F)cc4)nc3s2)CC1
InChIInChI=1S/C21H21FN6S/c1-26-8-10-27(11-9-26)12-17-13-28-20(18-6-7-23-14-24-18)19(25-21(28)29-17)15-2-4-16(22)5-3-15/h2-7,13-14H,8-12H2,1H3
InChIKeyFGXOWMMGBPGWLS-UHFFFAOYSA-N
XLogP3.41
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]-5-pyrimidin-4-ylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]-5-pyrimidin-4-ylimidazo[2,1-b][1,3]thiazole (CID 44579349) is 6-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]-5-pyrimidin-4-ylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]-5-pyrimidin-4-ylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]-5-pyrimidin-4-ylimidazo[2,1-b][1,3]thiazole is CN1CCN(Cc2cn3c(-c4ccncn4)c(-c4ccc(F)cc4)nc3s2)CC1.
What is the InChIKey of 6-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]-5-pyrimidin-4-ylimidazo[2,1-b][1,3]thiazole?
The InChIKey is FGXOWMMGBPGWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6S/c1-26-8-10-27(11-9-26)12-17-13-28-20(18-6-7-23-14-24-18)19(25-21(28)29-17)15-2-4-16(22)5-3-15/h2-7,13-14H,8-12H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]-5-pyrimidin-4-ylimidazo[2,1-b][1,3]thiazole?
6-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]-5-pyrimidin-4-ylimidazo[2,1-b][1,3]thiazole has a molecular weight of 408.51 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]-5-pyrimidin-4-ylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 44579349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).