1-(4-phenylphenoxy)-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol

C22H25N3O2S — CID 51312086

IUPAC1-(4-phenylphenoxy)-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
SMILESOC(COc1ccc(-c2ccccc2)cc1)CN1CCN(c2nccs2)CC1
InChIInChI=1S/C22H25N3O2S/c26-20(16-24-11-13-25(14-12-24)22-23-10-15-28-22)17-27-21-8-6-19(7-9-21)18-4-2-1-3-5-18/h1-10,15,20,26H,11-14,16-17H2
InChIKeyVWSNQSWJUACYEY-UHFFFAOYSA-N
MW395.53 g/mol
LogP3.37
Rot. Bonds7

About 1-(4-phenylphenoxy)-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol

1-(4-phenylphenoxy)-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol (PubChem CID 51312086) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is 1-(4-phenylphenoxy)-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(4-phenylphenoxy)-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
PubChem CID51312086
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC Name1-(4-phenylphenoxy)-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
SMILESOC(COc1ccc(-c2ccccc2)cc1)CN1CCN(c2nccs2)CC1
InChIInChI=1S/C22H25N3O2S/c26-20(16-24-11-13-25(14-12-24)22-23-10-15-28-22)17-27-21-8-6-19(7-9-21)18-4-2-1-3-5-18/h1-10,15,20,26H,11-14,16-17H2
InChIKeyVWSNQSWJUACYEY-UHFFFAOYSA-N
XLogP3.37
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-phenylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 2940158
4-[4-[2-hydroxy-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propoxy]phenyl]butan-2-one
CID 51338359
2-[4-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]phenol
CID 27732487
1-(4-ethylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 3578916
(2R)-1-(4-benzylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 991009
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-phenylphenoxy)propan-2-ol
CID 2938679
(2R)-1-(3-nitrophenoxy)-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 31688819
(2S)-1-phenoxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 1485766
1-(4-phenylphenoxy)-3-piperazin-1-ylpropan-2-ol
CID 54773385
(2S)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-phenoxypropan-2-ol
CID 95317688
1-(4-phenoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 42909864
(2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 735579

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenoxy)-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-(4-phenylphenoxy)-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol (CID 51312086) is 1-(4-phenylphenoxy)-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(4-phenylphenoxy)-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-(4-phenylphenoxy)-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol is OC(COc1ccc(-c2ccccc2)cc1)CN1CCN(c2nccs2)CC1.
What is the InChIKey of 1-(4-phenylphenoxy)-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol?
The InChIKey is VWSNQSWJUACYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c26-20(16-24-11-13-25(14-12-24)22-23-10-15-28-22)17-27-21-8-6-19(7-9-21)18-4-2-1-3-5-18/h1-10,15,20,26H,11-14,16-17H2.
What are the key properties of 1-(4-phenylphenoxy)-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol?
1-(4-phenylphenoxy)-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol has a molecular weight of 395.53 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenoxy)-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 51312086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).