(2S,4S)-3-acetyl-2-(2-hydroxyphenyl)-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide

C15H20N2O4S — CID 34421867

IUPAC(2S,4S)-3-acetyl-2-(2-hydroxyphenyl)-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide
SMILESCOCCNC(=O)[C@H]1CS[C@@H](c2ccccc2O)N1C(C)=O
InChIInChI=1S/C15H20N2O4S/c1-10(18)17-12(14(20)16-7-8-21-2)9-22-15(17)11-5-3-4-6-13(11)19/h3-6,12,15,19H,7-9H2,1-2H3,(H,16,20)/t12-,15+/m1/s1
InChIKeyNZBYRNFSVASBOM-DOMZBBRYSA-N
MW324.40 g/mol
LogP1.12
Rot. Bonds5

About (2S,4S)-3-acetyl-2-(2-hydroxyphenyl)-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide

(2S,4S)-3-acetyl-2-(2-hydroxyphenyl)-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 34421867) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is (2S,4S)-3-acetyl-2-(2-hydroxyphenyl)-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-3-acetyl-2-(2-hydroxyphenyl)-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID34421867
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name(2S,4S)-3-acetyl-2-(2-hydroxyphenyl)-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide
SMILESCOCCNC(=O)[C@H]1CS[C@@H](c2ccccc2O)N1C(C)=O
InChIInChI=1S/C15H20N2O4S/c1-10(18)17-12(14(20)16-7-8-21-2)9-22-15(17)11-5-3-4-6-13(11)19/h3-6,12,15,19H,7-9H2,1-2H3,(H,16,20)/t12-,15+/m1/s1
InChIKeyNZBYRNFSVASBOM-DOMZBBRYSA-N
XLogP1.12
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R,4R)-3-acetyl-2-(2-hydroxyphenyl)-N-[(4-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 7323787
(2R,4R)-3-acetyl-N-cyclopentyl-2-(2-hydroxyphenyl)-1,3-thiazolidine-4-carboxamide
CID 7323775
(2R,4S)-N-(2-methoxyethyl)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxamide
CID 7412355
4-N-(2-methoxyethyl)-3-N-(2-methoxyphenyl)-2-phenyl-1,3-thiazolidine-3,4-dicarboxamide
CID 126458629
(2R,4R)-N-butyl-2-(2-chlorophenyl)-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxamide
CID 7419657
(2R,4R)-2-(2-chlorophenyl)-3-(2-methoxyacetyl)-N-pentyl-1,3-thiazolidine-4-carboxamide
CID 7232108
2-(2-chlorophenyl)-3-(2-methoxyacetyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 3537215
(2R,4R)-N-hydroxy-2-(2-hydroxyphenyl)-3-(3-sulfanylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 13066729
2-(furan-3-yl)-N-(2-methoxyethyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42745217
3-acetyl-2-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
CID 42744705
(4R)-3-butanoyl-2-(2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 146861544
3-acetyl-2-(furan-3-yl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
CID 42744972

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-3-acetyl-2-(2-hydroxyphenyl)-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (2S,4S)-3-acetyl-2-(2-hydroxyphenyl)-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide (CID 34421867) is (2S,4S)-3-acetyl-2-(2-hydroxyphenyl)-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-3-acetyl-2-(2-hydroxyphenyl)-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (2S,4S)-3-acetyl-2-(2-hydroxyphenyl)-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide is COCCNC(=O)[C@H]1CS[C@@H](c2ccccc2O)N1C(C)=O.
What is the InChIKey of (2S,4S)-3-acetyl-2-(2-hydroxyphenyl)-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is NZBYRNFSVASBOM-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-10(18)17-12(14(20)16-7-8-21-2)9-22-15(17)11-5-3-4-6-13(11)19/h3-6,12,15,19H,7-9H2,1-2H3,(H,16,20)/t12-,15+/m1/s1.
What are the key properties of (2S,4S)-3-acetyl-2-(2-hydroxyphenyl)-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide?
(2S,4S)-3-acetyl-2-(2-hydroxyphenyl)-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 324.40 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-3-acetyl-2-(2-hydroxyphenyl)-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 34421867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).