(4R)-2-(2-hydroxyphenyl)-N-[2-(2-methoxyethoxy)ethyl]-4,5-dihydro-1,3-thiazole-4-carboxamide

C15H20N2O4S — CID 137152965

IUPAC(4R)-2-(2-hydroxyphenyl)-N-[2-(2-methoxyethoxy)ethyl]-4,5-dihydro-1,3-thiazole-4-carboxamide
SMILESCOCCOCCNC(=O)[C@@H]1CSC(c2ccccc2O)=N1
InChIInChI=1S/C15H20N2O4S/c1-20-8-9-21-7-6-16-14(19)12-10-22-15(17-12)11-4-2-3-5-13(11)18/h2-5,12,18H,6-10H2,1H3,(H,16,19)/t12-/m0/s1
InChIKeyALHPCOIFAARTDH-LBPRGKRZSA-N
MW324.40 g/mol
LogP1.03
Rot. Bonds8

About (4R)-2-(2-hydroxyphenyl)-N-[2-(2-methoxyethoxy)ethyl]-4,5-dihydro-1,3-thiazole-4-carboxamide

(4R)-2-(2-hydroxyphenyl)-N-[2-(2-methoxyethoxy)ethyl]-4,5-dihydro-1,3-thiazole-4-carboxamide (PubChem CID 137152965) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is (4R)-2-(2-hydroxyphenyl)-N-[2-(2-methoxyethoxy)ethyl]-4,5-dihydro-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name(4R)-2-(2-hydroxyphenyl)-N-[2-(2-methoxyethoxy)ethyl]-4,5-dihydro-1,3-thiazole-4-carboxamide
PubChem CID137152965
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name(4R)-2-(2-hydroxyphenyl)-N-[2-(2-methoxyethoxy)ethyl]-4,5-dihydro-1,3-thiazole-4-carboxamide
SMILESCOCCOCCNC(=O)[C@@H]1CSC(c2ccccc2O)=N1
InChIInChI=1S/C15H20N2O4S/c1-20-8-9-21-7-6-16-14(19)12-10-22-15(17-12)11-4-2-3-5-13(11)18/h2-5,12,18H,6-10H2,1H3,(H,16,19)/t12-/m0/s1
InChIKeyALHPCOIFAARTDH-LBPRGKRZSA-N
XLogP1.03
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
2-(2-hydroxyphenyl)-N-[2-[2-[2-[[2-(2-hydroxyphenyl)-1,3-thiazole-4-carbonyl]amino]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carboxamide
CID 135869459
methyl (4S)-2-[3-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 144849599
(4S)-2-[2,4-dihydroxy-5-[3-(3-methoxypropoxy)propyl]phenyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 142866364
ethyl (4S)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-pyridinyl]-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 144849586
ethane;(2S)-2-ethyl-6-(hydroxymethyl)oxane-3,4,5-triol;2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 145161212
9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 171617165
N-[2-(2-methoxyethoxy)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262588
(2S,4S)-3-acetyl-2-(2-hydroxyphenyl)-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide
CID 34421867
methyl (4R)-2-(2-methoxy-3-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 158631456
3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-2-carboxamide
CID 104696914
N-(2-methylpropoxy)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide
CID 82723067

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(2-hydroxyphenyl)-N-[2-(2-methoxyethoxy)ethyl]-4,5-dihydro-1,3-thiazole-4-carboxamide?
The IUPAC name of (4R)-2-(2-hydroxyphenyl)-N-[2-(2-methoxyethoxy)ethyl]-4,5-dihydro-1,3-thiazole-4-carboxamide (CID 137152965) is (4R)-2-(2-hydroxyphenyl)-N-[2-(2-methoxyethoxy)ethyl]-4,5-dihydro-1,3-thiazole-4-carboxamide.
What is the SMILES notation for (4R)-2-(2-hydroxyphenyl)-N-[2-(2-methoxyethoxy)ethyl]-4,5-dihydro-1,3-thiazole-4-carboxamide?
The canonical SMILES for (4R)-2-(2-hydroxyphenyl)-N-[2-(2-methoxyethoxy)ethyl]-4,5-dihydro-1,3-thiazole-4-carboxamide is COCCOCCNC(=O)[C@@H]1CSC(c2ccccc2O)=N1.
What is the InChIKey of (4R)-2-(2-hydroxyphenyl)-N-[2-(2-methoxyethoxy)ethyl]-4,5-dihydro-1,3-thiazole-4-carboxamide?
The InChIKey is ALHPCOIFAARTDH-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-20-8-9-21-7-6-16-14(19)12-10-22-15(17-12)11-4-2-3-5-13(11)18/h2-5,12,18H,6-10H2,1H3,(H,16,19)/t12-/m0/s1.
What are the key properties of (4R)-2-(2-hydroxyphenyl)-N-[2-(2-methoxyethoxy)ethyl]-4,5-dihydro-1,3-thiazole-4-carboxamide?
(4R)-2-(2-hydroxyphenyl)-N-[2-(2-methoxyethoxy)ethyl]-4,5-dihydro-1,3-thiazole-4-carboxamide has a molecular weight of 324.40 g/mol, XLogP of 1.03, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(2-hydroxyphenyl)-N-[2-(2-methoxyethoxy)ethyl]-4,5-dihydro-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 137152965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).