ethyl 4-[[2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetyl]amino]benzoate

C25H28N4O4S — CID 3223649

IUPACethyl 4-[[2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CN2CCN(c3nc(-c4cccc(OC)c4)cs3)CC2)cc1
InChIInChI=1S/C25H28N4O4S/c1-3-33-24(31)18-7-9-20(10-8-18)26-23(30)16-28-11-13-29(14-12-28)25-27-22(17-34-25)19-5-4-6-21(15-19)32-2/h4-10,15,17H,3,11-14,16H2,1-2H3,(H,26,30)
InChIKeyJEFFIDHBFYTZLC-UHFFFAOYSA-N
MW480.59 g/mol
LogP3.76
Rot. Bonds8

About ethyl 4-[[2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetyl]amino]benzoate

ethyl 4-[[2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetyl]amino]benzoate (PubChem CID 3223649) has the molecular formula C25H28N4O4S and a molecular weight of 480.59 g/mol. Its IUPAC name is ethyl 4-[[2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetyl]amino]benzoate
PubChem CID3223649
Molecular FormulaC25H28N4O4S
Molecular Weight480.59 g/mol
Exact Mass480.18
IUPAC Nameethyl 4-[[2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CN2CCN(c3nc(-c4cccc(OC)c4)cs3)CC2)cc1
InChIInChI=1S/C25H28N4O4S/c1-3-33-24(31)18-7-9-20(10-8-18)26-23(30)16-28-11-13-29(14-12-28)25-27-22(17-34-25)19-5-4-6-21(15-19)32-2/h4-10,15,17H,3,11-14,16H2,1-2H3,(H,26,30)
InChIKeyJEFFIDHBFYTZLC-UHFFFAOYSA-N
XLogP3.76
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[[2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetyl]amino]benzoate with MolForge

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Related Compounds

N-(2,5-dichlorophenyl)-2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide
CID 1447590
N-(4-bromophenyl)-2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]acetamide
CID 6986150
N-(4-ethoxyphenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide
CID 1438337
N-(3-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
CID 1447625
N-(4-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide
CID 3223665
4-methoxy-N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetyl]benzohydrazide
CID 3223640
ethyl 4-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethoxy]benzoate
CID 142759916
ethyl 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
CID 676265
4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-N-propylpiperazine-1-carbothioamide
CID 3223675
N-(4-acetamidophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 41312804
N-[4-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]butanamide
CID 9356398
2-methoxy-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 810541

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetyl]amino]benzoate (CID 3223649) is ethyl 4-[[2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)CN2CCN(c3nc(-c4cccc(OC)c4)cs3)CC2)cc1.
What is the InChIKey of ethyl 4-[[2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetyl]amino]benzoate?
The InChIKey is JEFFIDHBFYTZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4S/c1-3-33-24(31)18-7-9-20(10-8-18)26-23(30)16-28-11-13-29(14-12-28)25-27-22(17-34-25)19-5-4-6-21(15-19)32-2/h4-10,15,17H,3,11-14,16H2,1-2H3,(H,26,30).
What are the key properties of ethyl 4-[[2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetyl]amino]benzoate?
ethyl 4-[[2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetyl]amino]benzoate has a molecular weight of 480.59 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetyl]amino]benzoate is sourced from PubChem (CID 3223649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).