2-(3-propan-2-ylphenoxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one

C19H25N3O2S — CID 55821876

IUPAC2-(3-propan-2-ylphenoxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
SMILESCC(Oc1cccc(C(C)C)c1)C(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C19H25N3O2S/c1-14(2)16-5-4-6-17(13-16)24-15(3)18(23)21-8-10-22(11-9-21)19-20-7-12-25-19/h4-7,12-15H,8-11H2,1-3H3
InChIKeyXSGLJJASIBRGPB-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.38
Rot. Bonds5

About 2-(3-propan-2-ylphenoxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one

2-(3-propan-2-ylphenoxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one (PubChem CID 55821876) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 2-(3-propan-2-ylphenoxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(3-propan-2-ylphenoxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
PubChem CID55821876
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name2-(3-propan-2-ylphenoxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
SMILESCC(Oc1cccc(C(C)C)c1)C(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C19H25N3O2S/c1-14(2)16-5-4-6-17(13-16)24-15(3)18(23)21-8-10-22(11-9-21)19-20-7-12-25-19/h4-7,12-15H,8-11H2,1-3H3
InChIKeyXSGLJJASIBRGPB-UHFFFAOYSA-N
XLogP3.38
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3-propan-2-ylphenoxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

2-(3-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 78767912
2-hydroxy-2-phenyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 111432215
(2S)-2-(4-propan-2-ylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 42562844
N-[1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]acetamide
CID 24645578
(4R)-1-(3-propan-2-ylphenyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 39977915
4-methyl-1-(3-propan-2-ylphenyl)-3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyridin-2-one
CID 172655760
1-(3-hydroxypiperidin-1-yl)-2-(3-propan-2-ylphenoxy)propan-1-one
CID 110895902
2-[1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]isoindole-1,3-dione
CID 23739700
(2S)-3-(3-fluorophenyl)-2-methyl-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propan-1-one
CID 95151195
2-[3-(1-aminoethyl)phenoxy]-1-piperidin-1-ylpropan-1-one
CID 43116396
2-amino-4-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentan-1-one
CID 24708603
N'-[2-(3-methoxyphenoxy)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111820409

Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-ylphenoxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-(3-propan-2-ylphenoxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one (CID 55821876) is 2-(3-propan-2-ylphenoxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-(3-propan-2-ylphenoxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-(3-propan-2-ylphenoxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one is CC(Oc1cccc(C(C)C)c1)C(=O)N1CCN(c2nccs2)CC1.
What is the InChIKey of 2-(3-propan-2-ylphenoxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
The InChIKey is XSGLJJASIBRGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-14(2)16-5-4-6-17(13-16)24-15(3)18(23)21-8-10-22(11-9-21)19-20-7-12-25-19/h4-7,12-15H,8-11H2,1-3H3.
What are the key properties of 2-(3-propan-2-ylphenoxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
2-(3-propan-2-ylphenoxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one has a molecular weight of 359.50 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-ylphenoxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 55821876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).