[4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methanone

C24H23FN4O2S — CID 5310545

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methanone
SMILESCOc1ccc(-c2cn3c(C)c(C(=O)N4CCN(c5ccc(F)cc5)CC4)sc3n2)cc1
InChIInChI=1S/C24H23FN4O2S/c1-16-22(23(30)28-13-11-27(12-14-28)19-7-5-18(25)6-8-19)32-24-26-21(15-29(16)24)17-3-9-20(31-2)10-4-17/h3-10,15H,11-14H2,1-2H3
InChIKeyVMLAJRDMUUJJPE-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.48
Rot. Bonds4

About [4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methanone

[4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methanone (PubChem CID 5310545) has the molecular formula C24H23FN4O2S and a molecular weight of 450.54 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methanone
PubChem CID5310545
Molecular FormulaC24H23FN4O2S
Molecular Weight450.54 g/mol
Exact Mass450.15
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methanone
SMILESCOc1ccc(-c2cn3c(C)c(C(=O)N4CCN(c5ccc(F)cc5)CC4)sc3n2)cc1
InChIInChI=1S/C24H23FN4O2S/c1-16-22(23(30)28-13-11-27(12-14-28)19-7-5-18(25)6-8-19)32-24-26-21(15-29(16)24)17-3-9-20(31-2)10-4-17/h3-10,15H,11-14H2,1-2H3
InChIKeyVMLAJRDMUUJJPE-UHFFFAOYSA-N
XLogP4.48
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methanone (CID 5310545) is [4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methanone is COc1ccc(-c2cn3c(C)c(C(=O)N4CCN(c5ccc(F)cc5)CC4)sc3n2)cc1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methanone?
The InChIKey is VMLAJRDMUUJJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2S/c1-16-22(23(30)28-13-11-27(12-14-28)19-7-5-18(25)6-8-19)32-24-26-21(15-29(16)24)17-3-9-20(31-2)10-4-17/h3-10,15H,11-14H2,1-2H3.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methanone has a molecular weight of 450.54 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methanone is sourced from PubChem (CID 5310545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).