2-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone

C16H21N3O2S — CID 110802605

IUPAC2-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCN(C(=O)C2CSCN2)CC1
InChIInChI=1S/C16H21N3O2S/c20-15(10-13-4-2-1-3-5-13)18-6-8-19(9-7-18)16(21)14-11-22-12-17-14/h1-5,14,17H,6-12H2
InChIKeyJXQDBWWVFNJFDO-UHFFFAOYSA-N
MW319.43 g/mol
LogP0.56
Rot. Bonds3

About 2-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone

2-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone (PubChem CID 110802605) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone
PubChem CID110802605
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name2-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCN(C(=O)C2CSCN2)CC1
InChIInChI=1S/C16H21N3O2S/c20-15(10-13-4-2-1-3-5-13)18-6-8-19(9-7-18)16(21)14-11-22-12-17-14/h1-5,14,17H,6-12H2
InChIKeyJXQDBWWVFNJFDO-UHFFFAOYSA-N
XLogP0.56
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]butan-1-one
CID 119312341
2-(4-methoxy-3-methylphenyl)-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone
CID 110814535
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110757208
2-(2,4-dimethylphenyl)-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone
CID 110814539
N-phenyl-2-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]acetamide
CID 110741454
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 875936
[4-(2-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110802108
1-[4-(1,3-thiazolidine-4-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 54916318
5-[4-(2-phenylacetyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 110808253
[4-(pyridin-4-ylmethyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 60937367
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 110364750
[4-(pyridin-2-ylmethyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 60940163

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone (CID 110802605) is 2-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone is O=C(Cc1ccccc1)N1CCN(C(=O)C2CSCN2)CC1.
What is the InChIKey of 2-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is JXQDBWWVFNJFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c20-15(10-13-4-2-1-3-5-13)18-6-8-19(9-7-18)16(21)14-11-22-12-17-14/h1-5,14,17H,6-12H2.
What are the key properties of 2-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone?
2-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 319.43 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110802605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).