ethyl 6-[4-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]pyridine-3-carboxylate

C25H28N4O5S — CID 55599600

IUPACethyl 6-[4-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2CCN(C(=O)Cc3csc(-c4ccc(OC)c(OC)c4)n3)CC2)nc1
InChIInChI=1S/C25H28N4O5S/c1-4-34-25(31)18-6-8-22(26-15-18)28-9-11-29(12-10-28)23(30)14-19-16-35-24(27-19)17-5-7-20(32-2)21(13-17)33-3/h5-8,13,15-16H,4,9-12,14H2,1-3H3
InChIKeyQZKQRUDYYZZXHX-UHFFFAOYSA-N
MW496.59 g/mol
LogP3.29
Rot. Bonds8

About ethyl 6-[4-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]pyridine-3-carboxylate

ethyl 6-[4-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]pyridine-3-carboxylate (PubChem CID 55599600) has the molecular formula C25H28N4O5S and a molecular weight of 496.59 g/mol. Its IUPAC name is ethyl 6-[4-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[4-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]pyridine-3-carboxylate
PubChem CID55599600
Molecular FormulaC25H28N4O5S
Molecular Weight496.59 g/mol
Exact Mass496.18
IUPAC Nameethyl 6-[4-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2CCN(C(=O)Cc3csc(-c4ccc(OC)c(OC)c4)n3)CC2)nc1
InChIInChI=1S/C25H28N4O5S/c1-4-34-25(31)18-6-8-22(26-15-18)28-9-11-29(12-10-28)23(30)14-19-16-35-24(27-19)17-5-7-20(32-2)21(13-17)33-3/h5-8,13,15-16H,4,9-12,14H2,1-3H3
InChIKeyQZKQRUDYYZZXHX-UHFFFAOYSA-N
XLogP3.29
TPSA94.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethyl 6-[4-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]pyridine-3-carboxylate 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

4-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-N,N-diethylpiperazine-1-sulfonamide
CID 41469372
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 55452896
[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 4-ethoxy-3-methoxybenzoate
CID 16516068
ethyl 6-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]pyridine-3-carboxylate
CID 38783852
ethyl 6-[4-(4-hexoxy-3-methoxybenzoyl)piperazin-1-yl]pyridine-3-carboxylate
CID 55578396
ethyl 6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carboxylate
CID 38783932
[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 4-hydroxybenzoate
CID 7866611
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 51564093
ethyl 6-[4-(5-ethoxycarbonyl-2-pyridinyl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 32800544
(3S)-1-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]piperidine-3-carboxylic acid
CID 39334602
ethyl 6-[4-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyridine-3-carboxylate
CID 33372876
2-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 20985054

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[4-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[4-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]pyridine-3-carboxylate (CID 55599600) is ethyl 6-[4-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[4-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[4-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]pyridine-3-carboxylate is CCOC(=O)c1ccc(N2CCN(C(=O)Cc3csc(-c4ccc(OC)c(OC)c4)n3)CC2)nc1.
What is the InChIKey of ethyl 6-[4-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]pyridine-3-carboxylate?
The InChIKey is QZKQRUDYYZZXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5S/c1-4-34-25(31)18-6-8-22(26-15-18)28-9-11-29(12-10-28)23(30)14-19-16-35-24(27-19)17-5-7-20(32-2)21(13-17)33-3/h5-8,13,15-16H,4,9-12,14H2,1-3H3.
What are the key properties of ethyl 6-[4-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]pyridine-3-carboxylate?
ethyl 6-[4-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]pyridine-3-carboxylate has a molecular weight of 496.59 g/mol, XLogP of 3.29, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[4-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 55599600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).