2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone

C25H28FN5OS — CID 1447304

IUPAC2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H28FN5OS/c26-21-8-6-20(7-9-21)23-19-33-25(27-23)31-12-10-28(11-13-31)18-24(32)30-16-14-29(15-17-30)22-4-2-1-3-5-22/h1-9,19H,10-18H2
InChIKeyDVUALIDZKQCILL-UHFFFAOYSA-N
MW465.60 g/mol
LogP3.42
Rot. Bonds5

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

2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 1447304) has the molecular formula C25H28FN5OS and a molecular weight of 465.60 g/mol. Its IUPAC name is 2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID1447304
Molecular FormulaC25H28FN5OS
Molecular Weight465.60 g/mol
Exact Mass465.20
IUPAC Name2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H28FN5OS/c26-21-8-6-20(7-9-21)23-19-33-25(27-23)31-12-10-28(11-13-31)18-24(32)30-16-14-29(15-17-30)22-4-2-1-3-5-22/h1-9,19H,10-18H2
InChIKeyDVUALIDZKQCILL-UHFFFAOYSA-N
XLogP3.42
TPSA42.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-phenyl-1,3-thiazol-2-yl)propan-1-one
CID 110412266
1-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 133371083
N-(2-fluorophenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
CID 1438372
N-benzyl-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide
CID 1447246
N-(2,3-dimethylphenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide
CID 1438331
N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
CID 1438361
cyclohexyl-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 1438379
cyclopropyl-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]methanone
CID 133499169
4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
CID 14573306
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995416
N-(4-ethoxyphenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide
CID 1438337
1-(4-benzylpiperazin-1-yl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]ethanone
CID 87015706

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone (CID 1447304) is 2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone is O=C(CN1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is DVUALIDZKQCILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5OS/c26-21-8-6-20(7-9-21)23-19-33-25(27-23)31-12-10-28(11-13-31)18-24(32)30-16-14-29(15-17-30)22-4-2-1-3-5-22/h1-9,19H,10-18H2.
What are the key properties of 2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone?
2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 465.60 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 1447304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).