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

C23H24FN5S — CID 44579353

IUPAC6-(4-fluorophenyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole
SMILESCN1CCN(CCc2cn3c(-c4ccncc4)c(-c4ccc(F)cc4)nc3s2)CC1
InChIInChI=1S/C23H24FN5S/c1-27-12-14-28(15-13-27)11-8-20-16-29-22(18-6-9-25-10-7-18)21(26-23(29)30-20)17-2-4-19(24)5-3-17/h2-7,9-10,16H,8,11-15H2,1H3
InChIKeyFCSDOKSBLODMRB-UHFFFAOYSA-N
MW421.55 g/mol
LogP4.05
Rot. Bonds5

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

6-(4-fluorophenyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole (PubChem CID 44579353) has the molecular formula C23H24FN5S and a molecular weight of 421.55 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole
PubChem CID44579353
Molecular FormulaC23H24FN5S
Molecular Weight421.55 g/mol
Exact Mass421.17
IUPAC Name6-(4-fluorophenyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole
SMILESCN1CCN(CCc2cn3c(-c4ccncc4)c(-c4ccc(F)cc4)nc3s2)CC1
InChIInChI=1S/C23H24FN5S/c1-27-12-14-28(15-13-27)11-8-20-16-29-22(18-6-9-25-10-7-18)21(26-23(29)30-20)17-2-4-19(24)5-3-17/h2-7,9-10,16H,8,11-15H2,1H3
InChIKeyFCSDOKSBLODMRB-UHFFFAOYSA-N
XLogP4.05
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 54.05
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-[2-(4-methylpiperazin-1-yl)ethyl]-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(4-fluorophenyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole (CID 44579353) is 6-(4-fluorophenyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(4-fluorophenyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(4-fluorophenyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole is CN1CCN(CCc2cn3c(-c4ccncc4)c(-c4ccc(F)cc4)nc3s2)CC1.
What is the InChIKey of 6-(4-fluorophenyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole?
The InChIKey is FCSDOKSBLODMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5S/c1-27-12-14-28(15-13-27)11-8-20-16-29-22(18-6-9-25-10-7-18)21(26-23(29)30-20)17-2-4-19(24)5-3-17/h2-7,9-10,16H,8,11-15H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole?
6-(4-fluorophenyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole has a molecular weight of 421.55 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 44579353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).