ethyl 4-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethoxy]benzoate

C24H27N3O3S — CID 142759916

IUPACethyl 4-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethoxy]benzoate
SMILESCCOC(=O)c1ccc(OCCN2CCN(c3nc(-c4ccccc4)cs3)CC2)cc1
InChIInChI=1S/C24H27N3O3S/c1-2-29-23(28)20-8-10-21(11-9-20)30-17-16-26-12-14-27(15-13-26)24-25-22(18-31-24)19-6-4-3-5-7-19/h3-11,18H,2,12-17H2,1H3
InChIKeyQGXGSMYYLZWTAI-UHFFFAOYSA-N
MW437.57 g/mol
LogP4.19
Rot. Bonds8

About ethyl 4-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethoxy]benzoate

ethyl 4-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethoxy]benzoate (PubChem CID 142759916) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is ethyl 4-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethoxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethoxy]benzoate
PubChem CID142759916
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Nameethyl 4-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethoxy]benzoate
SMILESCCOC(=O)c1ccc(OCCN2CCN(c3nc(-c4ccccc4)cs3)CC2)cc1
InChIInChI=1S/C24H27N3O3S/c1-2-29-23(28)20-8-10-21(11-9-20)30-17-16-26-12-14-27(15-13-26)24-25-22(18-31-24)19-6-4-3-5-7-19/h3-11,18H,2,12-17H2,1H3
InChIKeyQGXGSMYYLZWTAI-UHFFFAOYSA-N
XLogP4.19
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethoxy]benzoate 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

ethyl 4-[2-[4-(5-bromo-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethoxy]benzoate
CID 142759928
2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanamine
CID 82167588
ethyl 4-[[2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetyl]amino]benzoate
CID 3223649
2-(4-ethylpiperazin-1-yl)-4-phenyl-1,3-thiazole
CID 102103813
ethyl 4-[2-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]ethoxy]benzoate
CID 142759936
4-methoxy-N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetyl]benzohydrazide
CID 3223640
ethyl 4-[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethoxy]benzoate
CID 19773562
ethyl 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
CID 676265
N-benzyl-4-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
CID 3223682
ethyl 6-[4-(3-phenoxypropyl)piperazin-1-yl]pyridine-3-carboxylate
CID 55579197
4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
CID 14573306
N-(4-ethoxyphenyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide
CID 1447422

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethoxy]benzoate?
The IUPAC name of ethyl 4-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethoxy]benzoate (CID 142759916) is ethyl 4-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethoxy]benzoate.
What is the SMILES notation for ethyl 4-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethoxy]benzoate?
The canonical SMILES for ethyl 4-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethoxy]benzoate is CCOC(=O)c1ccc(OCCN2CCN(c3nc(-c4ccccc4)cs3)CC2)cc1.
What is the InChIKey of ethyl 4-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethoxy]benzoate?
The InChIKey is QGXGSMYYLZWTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-2-29-23(28)20-8-10-21(11-9-20)30-17-16-26-12-14-27(15-13-26)24-25-22(18-31-24)19-6-4-3-5-7-19/h3-11,18H,2,12-17H2,1H3.
What are the key properties of ethyl 4-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethoxy]benzoate?
ethyl 4-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethoxy]benzoate has a molecular weight of 437.57 g/mol, XLogP of 4.19, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethoxy]benzoate is sourced from PubChem (CID 142759916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).