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

C16H19N3OS — CID 56687363

IUPAC1-(4-phenylpiperazin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one
SMILESO=C(CCc1nccs1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H19N3OS/c20-16(7-6-15-17-8-13-21-15)19-11-9-18(10-12-19)14-4-2-1-3-5-14/h1-5,8,13H,6-7,9-12H2
InChIKeyZIVFYPUIJOOEAN-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.42
Rot. Bonds4

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

1-(4-phenylpiperazin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one (PubChem CID 56687363) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 1-(4-phenylpiperazin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-phenylpiperazin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one
PubChem CID56687363
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name1-(4-phenylpiperazin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one
SMILESO=C(CCc1nccs1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H19N3OS/c20-16(7-6-15-17-8-13-21-15)19-11-9-18(10-12-19)14-4-2-1-3-5-14/h1-5,8,13H,6-7,9-12H2
InChIKeyZIVFYPUIJOOEAN-UHFFFAOYSA-N
XLogP2.42
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 110388329
3-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 110648650
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
1-(4-phenylpiperazin-1-yl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-one
CID 110648647
N'-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111092153
N-ethyl-4-[3-(1,3-thiazol-2-yl)propanoyl]piperazine-1-carboxamide
CID 136524578
1-(4-phenylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 110853162
1-(4-phenylpiperazin-1-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propan-1-one
CID 110330015
1-(4-phenylpiperazin-1-yl)pentane-1,4-dione
CID 60636215
1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 96500899
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 51217103
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-phenyl-1,3-thiazol-2-yl)propan-1-one
CID 110412266

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylpiperazin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one?
The IUPAC name of 1-(4-phenylpiperazin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one (CID 56687363) is 1-(4-phenylpiperazin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one.
What is the SMILES notation for 1-(4-phenylpiperazin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one?
The canonical SMILES for 1-(4-phenylpiperazin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one is O=C(CCc1nccs1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(4-phenylpiperazin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one?
The InChIKey is ZIVFYPUIJOOEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c20-16(7-6-15-17-8-13-21-15)19-11-9-18(10-12-19)14-4-2-1-3-5-14/h1-5,8,13H,6-7,9-12H2.
What are the key properties of 1-(4-phenylpiperazin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one?
1-(4-phenylpiperazin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one has a molecular weight of 301.42 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylpiperazin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one is sourced from PubChem (CID 56687363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).