2-[(4S)-4-acetyl-4-methyl-5H-1,3-thiazol-2-yl]-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenolate

C19H26NO6S- — CID 157179655

IUPAC2-[(4S)-4-acetyl-4-methyl-5H-1,3-thiazol-2-yl]-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenolate
SMILESCOCCOCCOCCOc1cccc(C2=N[C@@](C)(C(C)=O)CS2)c1[O-]
InChIInChI=1S/C19H27NO6S/c1-14(21)19(2)13-27-18(20-19)15-5-4-6-16(17(15)22)26-12-11-25-10-9-24-8-7-23-3/h4-6,22H,7-13H2,1-3H3/p-1/t19-/m1/s1
InChIKeyAOKOIJXZKYYYES-LJQANCHMSA-M
MW396.49 g/mol
LogP1.66
Rot. Bonds12

About 2-[(4S)-4-acetyl-4-methyl-5H-1,3-thiazol-2-yl]-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenolate

2-[(4S)-4-acetyl-4-methyl-5H-1,3-thiazol-2-yl]-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenolate (PubChem CID 157179655) has the molecular formula C19H26NO6S- and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-[(4S)-4-acetyl-4-methyl-5H-1,3-thiazol-2-yl]-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenolate.

Molecular Properties

Compound Name2-[(4S)-4-acetyl-4-methyl-5H-1,3-thiazol-2-yl]-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenolate
PubChem CID157179655
Molecular FormulaC19H26NO6S-
Molecular Weight396.49 g/mol
Exact Mass396.15
IUPAC Name2-[(4S)-4-acetyl-4-methyl-5H-1,3-thiazol-2-yl]-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenolate
SMILESCOCCOCCOCCOc1cccc(C2=N[C@@](C)(C(C)=O)CS2)c1[O-]
InChIInChI=1S/C19H27NO6S/c1-14(21)19(2)13-27-18(20-19)15-5-4-6-16(17(15)22)26-12-11-25-10-9-24-8-7-23-3/h4-6,22H,7-13H2,1-3H3/p-1/t19-/m1/s1
InChIKeyAOKOIJXZKYYYES-LJQANCHMSA-M
XLogP1.66
TPSA89.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[(4S)-4-acetyl-4-methyl-5H-1,3-thiazol-2-yl]-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenolate 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

methane;(4S)-2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-oxidophenyl]-4-methyl-5H-1,3-thiazole-4-carboxylate
CID 158441630
disodium bis((4S)-2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylate)
CID 140670128
(4S)-2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[methyl(phenyl)carbamoyl]oxyphenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid
CID 50923692
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-[(4S)-2-[3-hydroxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-pyridinyl]-4-methyl-5H-1,3-thiazol-4-yl]ethanone
CID 162012470
dimagnesium;(2S)-2-amino-2-methyl-3-sulfanylpropanoic acid;2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzonitrile;(4S)-2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylate;(4S)-2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;trihydroxide;hydrochloride
CID 162033698
(4S)-2-[3-hydroxy-4-(2-propoxyethoxy)-2-pyridinyl]-4-methyl-5H-1,3-thiazole-4-carboxylate;methane
CID 158754110
(4S)-2-[2-(2-ethylhexanoyloxy)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid
CID 67480512
(4S)-2-[4-[2-(2-hydroxyethoxy)ethoxy]-2-methylphenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid
CID 148862404
methyl (4S)-2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[methyl(phenyl)carbamoyl]oxyphenyl]-4-propan-2-yl-5H-1,3-thiazole-4-carboxylate
CID 123373529
2-[2-hydroxy-4-[2-(2-methoxyethoxy)ethylamino]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid
CID 137071372
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]benzene
CID 102202030

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-acetyl-4-methyl-5H-1,3-thiazol-2-yl]-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenolate?
The IUPAC name of 2-[(4S)-4-acetyl-4-methyl-5H-1,3-thiazol-2-yl]-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenolate (CID 157179655) is 2-[(4S)-4-acetyl-4-methyl-5H-1,3-thiazol-2-yl]-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenolate.
What is the SMILES notation for 2-[(4S)-4-acetyl-4-methyl-5H-1,3-thiazol-2-yl]-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenolate?
The canonical SMILES for 2-[(4S)-4-acetyl-4-methyl-5H-1,3-thiazol-2-yl]-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenolate is COCCOCCOCCOc1cccc(C2=N[C@@](C)(C(C)=O)CS2)c1[O-].
What is the InChIKey of 2-[(4S)-4-acetyl-4-methyl-5H-1,3-thiazol-2-yl]-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenolate?
The InChIKey is AOKOIJXZKYYYES-LJQANCHMSA-M. The full InChI is InChI=1S/C19H27NO6S/c1-14(21)19(2)13-27-18(20-19)15-5-4-6-16(17(15)22)26-12-11-25-10-9-24-8-7-23-3/h4-6,22H,7-13H2,1-3H3/p-1/t19-/m1/s1.
What are the key properties of 2-[(4S)-4-acetyl-4-methyl-5H-1,3-thiazol-2-yl]-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenolate?
2-[(4S)-4-acetyl-4-methyl-5H-1,3-thiazol-2-yl]-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenolate has a molecular weight of 396.49 g/mol, XLogP of 1.66, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-acetyl-4-methyl-5H-1,3-thiazol-2-yl]-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenolate is sourced from PubChem (CID 157179655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).