2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone

C17H21N3O2S — CID 119402790

IUPAC2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone
SMILESCCOc1ccc(-c2nc(CC(=O)N3CCNCC3)cs2)cc1
InChIInChI=1S/C17H21N3O2S/c1-2-22-15-5-3-13(4-6-15)17-19-14(12-23-17)11-16(21)20-9-7-18-8-10-20/h3-6,12,18H,2,7-11H2,1H3
InChIKeyRXNCGNVUOROKPD-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.18
Rot. Bonds5

About 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone

2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone (PubChem CID 119402790) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone
PubChem CID119402790
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone
SMILESCCOc1ccc(-c2nc(CC(=O)N3CCNCC3)cs2)cc1
InChIInChI=1S/C17H21N3O2S/c1-2-22-15-5-3-13(4-6-15)17-19-14(12-23-17)11-16(21)20-9-7-18-8-10-20/h3-6,12,18H,2,7-11H2,1H3
InChIKeyRXNCGNVUOROKPD-UHFFFAOYSA-N
XLogP2.18
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone
CID 39305192
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 55822311
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(methylamino)piperidin-1-yl]ethanone;dihydrochloride
CID 119562815
2-(2-phenyl-1,3-thiazol-4-yl)-1-piperazin-1-ylethanone
CID 39286705
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 55585106
(3R)-1-[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 124683151
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone;dihydrochloride
CID 119397745
1-[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55810082
2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone;dihydrochloride
CID 119403357
1-piperazin-1-yl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 39161804
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 55386843
5-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid
CID 159789278

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone (CID 119402790) is 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone is CCOc1ccc(-c2nc(CC(=O)N3CCNCC3)cs2)cc1.
What is the InChIKey of 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone?
The InChIKey is RXNCGNVUOROKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-2-22-15-5-3-13(4-6-15)17-19-14(12-23-17)11-16(21)20-9-7-18-8-10-20/h3-6,12,18H,2,7-11H2,1H3.
What are the key properties of 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone?
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone has a molecular weight of 331.44 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone is sourced from PubChem (CID 119402790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).