ethyl 4-[2-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]ethoxy]benzoate

C20H26N2O3S — CID 142759936

IUPACethyl 4-[2-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]ethoxy]benzoate
SMILESCCOC(=O)c1ccc(OCCC2CCN(c3nc(C)cs3)CC2)cc1
InChIInChI=1S/C20H26N2O3S/c1-3-24-19(23)17-4-6-18(7-5-17)25-13-10-16-8-11-22(12-9-16)20-21-15(2)14-26-20/h4-7,14,16H,3,8-13H2,1-2H3
InChIKeyKGHLTYBSKLMPET-UHFFFAOYSA-N
MW374.51 g/mol
LogP4.31
Rot. Bonds7

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

ethyl 4-[2-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]ethoxy]benzoate (PubChem CID 142759936) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is ethyl 4-[2-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]ethoxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]ethoxy]benzoate
PubChem CID142759936
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Nameethyl 4-[2-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]ethoxy]benzoate
SMILESCCOC(=O)c1ccc(OCCC2CCN(c3nc(C)cs3)CC2)cc1
InChIInChI=1S/C20H26N2O3S/c1-3-24-19(23)17-4-6-18(7-5-17)25-13-10-16-8-11-22(12-9-16)20-21-15(2)14-26-20/h4-7,14,16H,3,8-13H2,1-2H3
InChIKeyKGHLTYBSKLMPET-UHFFFAOYSA-N
XLogP4.31
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[2-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]ethoxy]benzoate
CID 142759915
ethyl 4-[2-[1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidin-4-yl]ethoxy]benzoate
CID 67836442
ethyl 2-[4-[2-[4-(ethoxyiminomethyl)phenoxy]ethyl]piperidin-1-yl]-1,3-thiazole-4-carboxylate
CID 5273126
ethyl 4-[2-[1-(1,2-benzothiazol-3-yl)piperidin-4-yl]ethoxy]benzoate
CID 67836658
ethyl 4-[2-[1-(propan-2-ylcarbamoyl)piperidin-4-yl]ethoxy]benzoate
CID 66851471
2-[4-[2-[4-[(E)-ethoxyiminomethyl]phenoxy]ethyl]piperidin-1-yl]-1,3-thiazole-4-carboxylic acid
CID 22024305
ethyl 4-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethoxy]benzoate
CID 142759916
ethyl 4-[2-(2,3-dimethoxy-1,4-dioxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)ethoxy]benzoate
CID 18348580
ethyl 2-(4-ethylazepan-1-yl)-1,3-thiazole-4-carboxylate
CID 80569559
ethyl 2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboxylate
CID 112732132
2-[4-(bromomethyl)piperidin-1-yl]-4-methyl-1,3-thiazole
CID 80668941
ethyl 4-[[1-(6-chloropyridazin-3-yl)piperidin-4-yl]methoxy]benzoate
CID 14989326

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]ethoxy]benzoate?
The IUPAC name of ethyl 4-[2-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]ethoxy]benzoate (CID 142759936) is ethyl 4-[2-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]ethoxy]benzoate.
What is the SMILES notation for ethyl 4-[2-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]ethoxy]benzoate?
The canonical SMILES for ethyl 4-[2-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]ethoxy]benzoate is CCOC(=O)c1ccc(OCCC2CCN(c3nc(C)cs3)CC2)cc1.
What is the InChIKey of ethyl 4-[2-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]ethoxy]benzoate?
The InChIKey is KGHLTYBSKLMPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-3-24-19(23)17-4-6-18(7-5-17)25-13-10-16-8-11-22(12-9-16)20-21-15(2)14-26-20/h4-7,14,16H,3,8-13H2,1-2H3.
What are the key properties of ethyl 4-[2-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]ethoxy]benzoate?
ethyl 4-[2-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]ethoxy]benzoate has a molecular weight of 374.51 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]ethoxy]benzoate is sourced from PubChem (CID 142759936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).