methyl 2-[2-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-4,5-dihydro-1,3-thiazole-4-carboxylate

C15H19NO6S — CID 145180716

IUPACmethyl 2-[2-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-4,5-dihydro-1,3-thiazole-4-carboxylate
SMILESCOC(=O)C1CSC(c2ccc(OCCOCCO)cc2O)=N1
InChIInChI=1S/C15H19NO6S/c1-20-15(19)12-9-23-14(16-12)11-3-2-10(8-13(11)18)22-7-6-21-5-4-17/h2-3,8,12,17-18H,4-7,9H2,1H3
InChIKeyISDOQXJCLZKEAG-UHFFFAOYSA-N
MW341.39 g/mol
LogP0.81
Rot. Bonds8

About methyl 2-[2-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-4,5-dihydro-1,3-thiazole-4-carboxylate

methyl 2-[2-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-4,5-dihydro-1,3-thiazole-4-carboxylate (PubChem CID 145180716) has the molecular formula C15H19NO6S and a molecular weight of 341.39 g/mol. Its IUPAC name is methyl 2-[2-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-4,5-dihydro-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-4,5-dihydro-1,3-thiazole-4-carboxylate
PubChem CID145180716
Molecular FormulaC15H19NO6S
Molecular Weight341.39 g/mol
Exact Mass341.09
IUPAC Namemethyl 2-[2-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-4,5-dihydro-1,3-thiazole-4-carboxylate
SMILESCOC(=O)C1CSC(c2ccc(OCCOCCO)cc2O)=N1
InChIInChI=1S/C15H19NO6S/c1-20-15(19)12-9-23-14(16-12)11-3-2-10(8-13(11)18)22-7-6-21-5-4-17/h2-3,8,12,17-18H,4-7,9H2,1H3
InChIKeyISDOQXJCLZKEAG-UHFFFAOYSA-N
XLogP0.81
TPSA97.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[(4S)-2-[2-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]phenyl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone
CID 137103375
methyl (4S)-2-[3-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 144849599
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
methyl (4S)-2-(4-but-3-enoxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 11098286
(4R)-2-(2-hydroxyphenyl)-N-[2-(2-methoxyethoxy)ethyl]-4,5-dihydro-1,3-thiazole-4-carboxamide
CID 137152965
(4S)-2-[4-[2-(2-hydroxyethoxy)ethoxy]-2-methylphenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid
CID 148862404
(4S)-2-[2-hydroxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;2-piperidin-1-ylethanol
CID 173037873
methyl (4S)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 101227988
2-[2-hydroxy-3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 143928032
methyl (4R)-2-[6-[(4R)-4-methoxycarbonyl-4,5-dihydro-1,3-thiazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 71739752
methyl (4R)-2-(2-methoxy-3-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 158631456
methyl (4S)-2-[6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 58797787

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-4,5-dihydro-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[2-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-4,5-dihydro-1,3-thiazole-4-carboxylate (CID 145180716) is methyl 2-[2-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-4,5-dihydro-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[2-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-4,5-dihydro-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[2-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-4,5-dihydro-1,3-thiazole-4-carboxylate is COC(=O)C1CSC(c2ccc(OCCOCCO)cc2O)=N1.
What is the InChIKey of methyl 2-[2-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-4,5-dihydro-1,3-thiazole-4-carboxylate?
The InChIKey is ISDOQXJCLZKEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO6S/c1-20-15(19)12-9-23-14(16-12)11-3-2-10(8-13(11)18)22-7-6-21-5-4-17/h2-3,8,12,17-18H,4-7,9H2,1H3.
What are the key properties of methyl 2-[2-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-4,5-dihydro-1,3-thiazole-4-carboxylate?
methyl 2-[2-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-4,5-dihydro-1,3-thiazole-4-carboxylate has a molecular weight of 341.39 g/mol, XLogP of 0.81, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-4,5-dihydro-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 145180716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).