2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone

C15H19N3OS2 — CID 851595

IUPAC2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(CSC1=NCCS1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H19N3OS2/c19-14(12-21-15-16-6-11-20-15)18-9-7-17(8-10-18)13-4-2-1-3-5-13/h1-5H,6-12H2
InChIKeyDWGGVZQCZJAHHG-UHFFFAOYSA-N
MW321.47 g/mol
LogP2.17
Rot. Bonds3

About 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 851595) has the molecular formula C15H19N3OS2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID851595
Molecular FormulaC15H19N3OS2
Molecular Weight321.47 g/mol
Exact Mass321.10
IUPAC Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(CSC1=NCCS1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H19N3OS2/c19-14(12-21-15-16-6-11-20-15)18-9-7-17(8-10-18)13-4-2-1-3-5-13/h1-5H,6-12H2
InChIKeyDWGGVZQCZJAHHG-UHFFFAOYSA-N
XLogP2.17
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone (CID 851595) is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone is O=C(CSC1=NCCS1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is DWGGVZQCZJAHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS2/c19-14(12-21-15-16-6-11-20-15)18-9-7-17(8-10-18)13-4-2-1-3-5-13/h1-5H,6-12H2.
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone?
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 321.47 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 851595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).