5-benzyl-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one

C20H21N3OS — CID 5069749

IUPAC5-benzyl-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCN(c3ccccc3)CC2)SC1Cc1ccccc1
InChIInChI=1S/C20H21N3OS/c24-19-18(15-16-7-3-1-4-8-16)25-20(21-19)23-13-11-22(12-14-23)17-9-5-2-6-10-17/h1-10,18H,11-15H2
InChIKeyXWZXMPMVMOCEPX-UHFFFAOYSA-N
MW351.48 g/mol
LogP3.05
Rot. Bonds3

About 5-benzyl-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one

5-benzyl-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one (PubChem CID 5069749) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is 5-benzyl-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one.

Molecular Properties

Compound Name5-benzyl-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one
PubChem CID5069749
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name5-benzyl-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCN(c3ccccc3)CC2)SC1Cc1ccccc1
InChIInChI=1S/C20H21N3OS/c24-19-18(15-16-7-3-1-4-8-16)25-20(21-19)23-13-11-22(12-14-23)17-9-5-2-6-10-17/h1-10,18H,11-15H2
InChIKeyXWZXMPMVMOCEPX-UHFFFAOYSA-N
XLogP3.05
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(diphenylamino)-6-phenyl-5,6-dihydro-4H-1,3-thiazin-4-one
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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one?
The IUPAC name of 5-benzyl-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one (CID 5069749) is 5-benzyl-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one.
What is the SMILES notation for 5-benzyl-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one?
The canonical SMILES for 5-benzyl-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one is O=C1N=C(N2CCN(c3ccccc3)CC2)SC1Cc1ccccc1.
What is the InChIKey of 5-benzyl-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one?
The InChIKey is XWZXMPMVMOCEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c24-19-18(15-16-7-3-1-4-8-16)25-20(21-19)23-13-11-22(12-14-23)17-9-5-2-6-10-17/h1-10,18H,11-15H2.
What are the key properties of 5-benzyl-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one?
5-benzyl-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one has a molecular weight of 351.48 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one is sourced from PubChem (CID 5069749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).