ethyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole-5-carboxylate

C23H25N3O3S — CID 68909460

IUPACethyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N2CCN(c3ccccc3OC)CC2)nc1-c1ccccc1
InChIInChI=1S/C23H25N3O3S/c1-3-29-22(27)21-20(17-9-5-4-6-10-17)24-23(30-21)26-15-13-25(14-16-26)18-11-7-8-12-19(18)28-2/h4-12H,3,13-16H2,1-2H3
InChIKeyCNOOROCZLOWWLF-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.32
Rot. Bonds6

About ethyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole-5-carboxylate

ethyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole-5-carboxylate (PubChem CID 68909460) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is ethyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole-5-carboxylate
PubChem CID68909460
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Nameethyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N2CCN(c3ccccc3OC)CC2)nc1-c1ccccc1
InChIInChI=1S/C23H25N3O3S/c1-3-29-22(27)21-20(17-9-5-4-6-10-17)24-23(30-21)26-15-13-25(14-16-26)18-11-7-8-12-19(18)28-2/h4-12H,3,13-16H2,1-2H3
InChIKeyCNOOROCZLOWWLF-UHFFFAOYSA-N
XLogP4.32
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole-5-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

2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 68909471
ethyl 2-[13-(5-ethoxycarbonyl-4-phenyl-1,3-thiazol-2-yl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-4-phenyl-1,3-thiazole-5-carboxylate
CID 146183998
ethyl 2-(diaminomethylideneamino)-4-phenyl-1,3-thiazole-5-carboxylate;hydrobromide
CID 18322831
ethyl 2-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxylate
CID 90440200
ethyl 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate
CID 108530741
ethyl 2-methylsulfanyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 13441328
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 39160777
ethyl 4-phenyl-2-(3-pyrrolidin-1-ylphenyl)-1,3-thiazole-5-carboxylate
CID 168514563
[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 26718598
5-hydroxypentyl 2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxylate
CID 167862109
ethyl 2-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 16848085
ethyl 2-[(5-fluoro-2-methoxybenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 55509740

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole-5-carboxylate (CID 68909460) is ethyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(N2CCN(c3ccccc3OC)CC2)nc1-c1ccccc1.
What is the InChIKey of ethyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole-5-carboxylate?
The InChIKey is CNOOROCZLOWWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-3-29-22(27)21-20(17-9-5-4-6-10-17)24-23(30-21)26-15-13-25(14-16-26)18-11-7-8-12-19(18)28-2/h4-12H,3,13-16H2,1-2H3.
What are the key properties of ethyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole-5-carboxylate?
ethyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole-5-carboxylate has a molecular weight of 423.54 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 68909460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).