[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone

C17H23N3OS — CID 110757208

IUPAC[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
SMILESO=C(C1CSCN1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C17H23N3OS/c21-17(16-13-22-14-18-16)20-11-9-19(10-12-20)8-4-7-15-5-2-1-3-6-15/h1-7,16,18H,8-14H2/b7-4+
InChIKeyXEZOEXUFLPTELK-QPJJXVBHSA-N
MW317.46 g/mol
LogP1.51
Rot. Bonds4

About [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone

[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone (PubChem CID 110757208) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone.

Molecular Properties

Compound Name[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
PubChem CID110757208
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
SMILESO=C(C1CSCN1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C17H23N3OS/c21-17(16-13-22-14-18-16)20-11-9-19(10-12-20)8-4-7-15-5-2-1-3-6-15/h1-7,16,18H,8-14H2/b7-4+
InChIKeyXEZOEXUFLPTELK-QPJJXVBHSA-N
XLogP1.51
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone
CID 110802605
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
4-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]butan-1-one
CID 119312341
cyclobutyl-[4-(3-phenylprop-2-enyl)-1,4-diazepan-1-yl]methanone
CID 171335990
(1S,6R)-6-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 6979724
(4R)-4-[2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-6-azaspiro[2.5]octane-6-carbonyl]-1,3-thiazolidin-2-one
CID 45246665
2-methylsulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 112790630
1-(4-acetylpiperazin-1-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione
CID 108984484
2-phenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 2839064
1-methyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 110687297
3,4-dimethyl-6-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 3132194
(1R,2S,3S,4R)-3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124764073

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The IUPAC name of [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone (CID 110757208) is [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone.
What is the SMILES notation for [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The canonical SMILES for [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone is O=C(C1CSCN1)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The InChIKey is XEZOEXUFLPTELK-QPJJXVBHSA-N. The full InChI is InChI=1S/C17H23N3OS/c21-17(16-13-22-14-18-16)20-11-9-19(10-12-20)8-4-7-15-5-2-1-3-6-15/h1-7,16,18H,8-14H2/b7-4+.
What are the key properties of [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone has a molecular weight of 317.46 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone is sourced from PubChem (CID 110757208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).