ethyl (4S)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-pyridinyl]-4,5-dihydro-1,3-thiazole-4-carboxylate

C18H27N3O6S — CID 144849586

IUPACethyl (4S)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-pyridinyl]-4,5-dihydro-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)[C@H]1CSC(c2ncc(NCCOCCOCCOC)cc2O)=N1
InChIInChI=1S/C18H27N3O6S/c1-3-27-18(23)14-12-28-17(21-14)16-15(22)10-13(11-20-16)19-4-5-25-8-9-26-7-6-24-2/h10-11,14,19,22H,3-9,12H2,1-2H3/t14-/m1/s1
InChIKeyWLCNJSGINLPFEX-CQSZACIVSA-N
MW413.50 g/mol
LogP1.30
Rot. Bonds13

About ethyl (4S)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-pyridinyl]-4,5-dihydro-1,3-thiazole-4-carboxylate

ethyl (4S)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-pyridinyl]-4,5-dihydro-1,3-thiazole-4-carboxylate (PubChem CID 144849586) has the molecular formula C18H27N3O6S and a molecular weight of 413.50 g/mol. Its IUPAC name is ethyl (4S)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-pyridinyl]-4,5-dihydro-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl (4S)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-pyridinyl]-4,5-dihydro-1,3-thiazole-4-carboxylate
PubChem CID144849586
Molecular FormulaC18H27N3O6S
Molecular Weight413.50 g/mol
Exact Mass413.16
IUPAC Nameethyl (4S)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-pyridinyl]-4,5-dihydro-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)[C@H]1CSC(c2ncc(NCCOCCOCCOC)cc2O)=N1
InChIInChI=1S/C18H27N3O6S/c1-3-27-18(23)14-12-28-17(21-14)16-15(22)10-13(11-20-16)19-4-5-25-8-9-26-7-6-24-2/h10-11,14,19,22H,3-9,12H2,1-2H3/t14-/m1/s1
InChIKeyWLCNJSGINLPFEX-CQSZACIVSA-N
XLogP1.30
TPSA111.50 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl (4S)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-pyridinyl]-4,5-dihydro-1,3-thiazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (4S)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-pyridinyl]-4,5-dihydro-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl (4S)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-pyridinyl]-4,5-dihydro-1,3-thiazole-4-carboxylate (CID 144849586) is ethyl (4S)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-pyridinyl]-4,5-dihydro-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl (4S)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-pyridinyl]-4,5-dihydro-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl (4S)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-pyridinyl]-4,5-dihydro-1,3-thiazole-4-carboxylate is CCOC(=O)[C@H]1CSC(c2ncc(NCCOCCOCCOC)cc2O)=N1.
What is the InChIKey of ethyl (4S)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-pyridinyl]-4,5-dihydro-1,3-thiazole-4-carboxylate?
The InChIKey is WLCNJSGINLPFEX-CQSZACIVSA-N. The full InChI is InChI=1S/C18H27N3O6S/c1-3-27-18(23)14-12-28-17(21-14)16-15(22)10-13(11-20-16)19-4-5-25-8-9-26-7-6-24-2/h10-11,14,19,22H,3-9,12H2,1-2H3/t14-/m1/s1.
What are the key properties of ethyl (4S)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-pyridinyl]-4,5-dihydro-1,3-thiazole-4-carboxylate?
ethyl (4S)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-pyridinyl]-4,5-dihydro-1,3-thiazole-4-carboxylate has a molecular weight of 413.50 g/mol, XLogP of 1.30, 13 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4S)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-pyridinyl]-4,5-dihydro-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 144849586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).