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

C15H17N3OS2 — CID 2810361

IUPAC1-(4-phenylpiperazin-1-yl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone
SMILESO=C(CSc1nccs1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H17N3OS2/c19-14(12-21-15-16-6-11-20-15)18-9-7-17(8-10-18)13-4-2-1-3-5-13/h1-6,11H,7-10,12H2
InChIKeyBVFQVNLWBSQANT-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.58
Rot. Bonds4

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

1-(4-phenylpiperazin-1-yl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone (PubChem CID 2810361) has the molecular formula C15H17N3OS2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-(4-phenylpiperazin-1-yl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(4-phenylpiperazin-1-yl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone
PubChem CID2810361
Molecular FormulaC15H17N3OS2
Molecular Weight319.45 g/mol
Exact Mass319.08
IUPAC Name1-(4-phenylpiperazin-1-yl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone
SMILESO=C(CSc1nccs1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H17N3OS2/c19-14(12-21-15-16-6-11-20-15)18-9-7-17(8-10-18)13-4-2-1-3-5-13/h1-6,11H,7-10,12H2
InChIKeyBVFQVNLWBSQANT-UHFFFAOYSA-N
XLogP2.58
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylpiperazin-1-yl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone?
The IUPAC name of 1-(4-phenylpiperazin-1-yl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone (CID 2810361) is 1-(4-phenylpiperazin-1-yl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone.
What is the SMILES notation for 1-(4-phenylpiperazin-1-yl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone?
The canonical SMILES for 1-(4-phenylpiperazin-1-yl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone is O=C(CSc1nccs1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(4-phenylpiperazin-1-yl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone?
The InChIKey is BVFQVNLWBSQANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS2/c19-14(12-21-15-16-6-11-20-15)18-9-7-17(8-10-18)13-4-2-1-3-5-13/h1-6,11H,7-10,12H2.
What are the key properties of 1-(4-phenylpiperazin-1-yl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone?
1-(4-phenylpiperazin-1-yl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone has a molecular weight of 319.45 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylpiperazin-1-yl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone is sourced from PubChem (CID 2810361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).