ethyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-thiazole-4-carboxylate

C17H24N2O6S — CID 137128608

IUPACethyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)C1(C)CSC(c2ncc(OCCOCCOC)cc2O)=N1
InChIInChI=1S/C17H24N2O6S/c1-4-24-16(21)17(2)11-26-15(19-17)14-13(20)9-12(10-18-14)25-8-7-23-6-5-22-3/h9-10,20H,4-8,11H2,1-3H3
InChIKeyKDJWVWUCJMGKRU-UHFFFAOYSA-N
MW384.45 g/mol
LogP1.64
Rot. Bonds10

About ethyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-thiazole-4-carboxylate

ethyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-thiazole-4-carboxylate (PubChem CID 137128608) has the molecular formula C17H24N2O6S and a molecular weight of 384.45 g/mol. Its IUPAC name is ethyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-thiazole-4-carboxylate
PubChem CID137128608
Molecular FormulaC17H24N2O6S
Molecular Weight384.45 g/mol
Exact Mass384.14
IUPAC Nameethyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)C1(C)CSC(c2ncc(OCCOCCOC)cc2O)=N1
InChIInChI=1S/C17H24N2O6S/c1-4-24-16(21)17(2)11-26-15(19-17)14-13(20)9-12(10-18-14)25-8-7-23-6-5-22-3/h9-10,20H,4-8,11H2,1-3H3
InChIKeyKDJWVWUCJMGKRU-UHFFFAOYSA-N
XLogP1.64
TPSA99.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

ethyl (5R)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-3,5-dimethyl-4H-imidazole-5-carboxylate
CID 136951607
2-[5-[2-[2-(carboxymethoxy)ethoxy]ethoxy]-3-hydroxy-2-pyridinyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid
CID 137094851
ethyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate
CID 136951562
propyl (5R)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-3,5-dimethyl-4H-imidazole-5-carboxylate
CID 137094998
methyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate
CID 136951557
2-[2-hydroxy-4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid
CID 136623557
1-[2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazol-4-yl]ethanone
CID 137094943
(4S)-2-[3-hydroxy-5-[2-[2-[2-[(2S,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-thiazole-4-carboxylate
CID 145161196
(4S)-2-[3-hydroxy-5-[2-[2-[2-[(2S,3R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-thiazole-4-carboxylate
CID 140882540
ethyl (4S)-2-[2-hydroxy-4-[2-[2-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylate
CID 144849533
2-[3-hydroxy-5-(2-methylpentan-2-yloxy)-2-pyridinyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid
CID 137119317
methyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate
CID 136951561

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-thiazole-4-carboxylate (CID 137128608) is ethyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-thiazole-4-carboxylate is CCOC(=O)C1(C)CSC(c2ncc(OCCOCCOC)cc2O)=N1.
What is the InChIKey of ethyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-thiazole-4-carboxylate?
The InChIKey is KDJWVWUCJMGKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O6S/c1-4-24-16(21)17(2)11-26-15(19-17)14-13(20)9-12(10-18-14)25-8-7-23-6-5-22-3/h9-10,20H,4-8,11H2,1-3H3.
What are the key properties of ethyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-thiazole-4-carboxylate?
ethyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-thiazole-4-carboxylate has a molecular weight of 384.45 g/mol, XLogP of 1.64, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 137128608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).