2-pyridin-3-yloxy-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone

C18H18N4O2S2 — CID 90601687

IUPAC2-pyridin-3-yloxy-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone
SMILESO=C(COc1cccnc1)N1CCN(c2nc(-c3ccsc3)cs2)CC1
InChIInChI=1S/C18H18N4O2S2/c23-17(11-24-15-2-1-4-19-10-15)21-5-7-22(8-6-21)18-20-16(13-26-18)14-3-9-25-12-14/h1-4,9-10,12-13H,5-8,11H2
InChIKeyRJJPUKXATAEUBT-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.99
Rot. Bonds5

About 2-pyridin-3-yloxy-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone

2-pyridin-3-yloxy-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 90601687) has the molecular formula C18H18N4O2S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-pyridin-3-yloxy-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-pyridin-3-yloxy-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone
PubChem CID90601687
Molecular FormulaC18H18N4O2S2
Molecular Weight386.50 g/mol
Exact Mass386.09
IUPAC Name2-pyridin-3-yloxy-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone
SMILESO=C(COc1cccnc1)N1CCN(c2nc(-c3ccsc3)cs2)CC1
InChIInChI=1S/C18H18N4O2S2/c23-17(11-24-15-2-1-4-19-10-15)21-5-7-22(8-6-21)18-20-16(13-26-18)14-3-9-25-12-14/h1-4,9-10,12-13H,5-8,11H2
InChIKeyRJJPUKXATAEUBT-UHFFFAOYSA-N
XLogP2.99
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-pyridin-3-yloxy-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-methylindol-3-yl)-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 90601675
1-[4-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 90601680
methyl 4-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazine-1-carbonyl]benzoate
CID 71811056
(E)-3-thiophen-2-yl-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]prop-2-en-1-one
CID 71811050
(2,5-dimethylfuran-3-yl)-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 71811046
1-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-2-pyridin-3-yloxyethanone
CID 56742518
1-(4-phenylpiperazin-1-yl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-one
CID 110648647
1-(2-pyridin-3-yloxyacetyl)pyrrolidine-3-carboxylic acid
CID 119353905
2-(4-cyclopropylsulfonylpiperazin-1-yl)-4-thiophen-3-yl-1,3-thiazole
CID 71811083
[3-(tetrazol-1-yl)phenyl]-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 90601690
3-pyridin-3-yl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 158724204
1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-pyridin-3-yloxyethanone
CID 121113859

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yloxy-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-pyridin-3-yloxy-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone (CID 90601687) is 2-pyridin-3-yloxy-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-pyridin-3-yloxy-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-pyridin-3-yloxy-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone is O=C(COc1cccnc1)N1CCN(c2nc(-c3ccsc3)cs2)CC1.
What is the InChIKey of 2-pyridin-3-yloxy-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is RJJPUKXATAEUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S2/c23-17(11-24-15-2-1-4-19-10-15)21-5-7-22(8-6-21)18-20-16(13-26-18)14-3-9-25-12-14/h1-4,9-10,12-13H,5-8,11H2.
What are the key properties of 2-pyridin-3-yloxy-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
2-pyridin-3-yloxy-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 386.50 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yloxy-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 90601687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).