2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone

C24H26FN3O2S — CID 39911524

IUPAC2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
SMILESCc1nc(-c2ccc(F)cc2)c(CC(=O)N2CCN(CCOc3ccccc3)CC2)s1
InChIInChI=1S/C24H26FN3O2S/c1-18-26-24(19-7-9-20(25)10-8-19)22(31-18)17-23(29)28-13-11-27(12-14-28)15-16-30-21-5-3-2-4-6-21/h2-10H,11-17H2,1H3
InChIKeyIVPFIMPMGXIUMQ-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.02
Rot. Bonds7

About 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone

2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone (PubChem CID 39911524) has the molecular formula C24H26FN3O2S and a molecular weight of 439.56 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
PubChem CID39911524
Molecular FormulaC24H26FN3O2S
Molecular Weight439.56 g/mol
Exact Mass439.17
IUPAC Name2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
SMILESCc1nc(-c2ccc(F)cc2)c(CC(=O)N2CCN(CCOc3ccccc3)CC2)s1
InChIInChI=1S/C24H26FN3O2S/c1-18-26-24(19-7-9-20(25)10-8-19)22(31-18)17-23(29)28-13-11-27(12-14-28)15-16-30-21-5-3-2-4-6-21/h2-10H,11-17H2,1H3
InChIKeyIVPFIMPMGXIUMQ-UHFFFAOYSA-N
XLogP4.02
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluorophenyl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
CID 78788994
ethyl 4-[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]piperazine-1-carboxylate
CID 29435932
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 17480273
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-1-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]ethanone
CID 86973888
1-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 110638149
2-(2,4-dimethylquinolin-3-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
CID 8850901
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone
CID 55620640
3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one
CID 70704854
1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 113074785
2-(4-chlorophenyl)-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]ethanone
CID 110638356
N-(4-fluorophenyl)sulfonyl-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)acetamide
CID 11682564
4,4,4-trifluoro-1-[4-(2-phenoxyethyl)piperazin-1-yl]butan-1-one
CID 70730336

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone (CID 39911524) is 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone is Cc1nc(-c2ccc(F)cc2)c(CC(=O)N2CCN(CCOc3ccccc3)CC2)s1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone?
The InChIKey is IVPFIMPMGXIUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2S/c1-18-26-24(19-7-9-20(25)10-8-19)22(31-18)17-23(29)28-13-11-27(12-14-28)15-16-30-21-5-3-2-4-6-21/h2-10H,11-17H2,1H3.
What are the key properties of 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone?
2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone has a molecular weight of 439.56 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 39911524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).