(5R)-2-(4-ethoxyphenyl)imino-5-phenacyl-1,3-thiazolidin-4-one

C19H18N2O3S — CID 135856685

IUPAC(5R)-2-(4-ethoxyphenyl)imino-5-phenacyl-1,3-thiazolidin-4-one
SMILESCCOc1ccc(/N=C2\NC(=O)[C@@H](CC(=O)c3ccccc3)S2)cc1
InChIInChI=1S/C19H18N2O3S/c1-2-24-15-10-8-14(9-11-15)20-19-21-18(23)17(25-19)12-16(22)13-6-4-3-5-7-13/h3-11,17H,2,12H2,1H3,(H,20,21,23)/t17-/m1/s1
InChIKeyOZZFCCWEFAGBHN-QGZVFWFLSA-N
MW354.43 g/mol
LogP3.58
Rot. Bonds6

About (5R)-2-(4-ethoxyphenyl)imino-5-phenacyl-1,3-thiazolidin-4-one

(5R)-2-(4-ethoxyphenyl)imino-5-phenacyl-1,3-thiazolidin-4-one (PubChem CID 135856685) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is (5R)-2-(4-ethoxyphenyl)imino-5-phenacyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5R)-2-(4-ethoxyphenyl)imino-5-phenacyl-1,3-thiazolidin-4-one
PubChem CID135856685
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name(5R)-2-(4-ethoxyphenyl)imino-5-phenacyl-1,3-thiazolidin-4-one
SMILESCCOc1ccc(/N=C2\NC(=O)[C@@H](CC(=O)c3ccccc3)S2)cc1
InChIInChI=1S/C19H18N2O3S/c1-2-24-15-10-8-14(9-11-15)20-19-21-18(23)17(25-19)12-16(22)13-6-4-3-5-7-13/h3-11,17H,2,12H2,1H3,(H,20,21,23)/t17-/m1/s1
InChIKeyOZZFCCWEFAGBHN-QGZVFWFLSA-N
XLogP3.58
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-[2-(4-chlorophenyl)-2-oxoethyl]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135956748
2-[(5S)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135761147
N-(4-ethoxyphenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
CID 135456969
2-[(5R)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide
CID 135691920
2-[(5S)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide
CID 135691919
2-[(5R)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 135691912
N-(4-butoxyphenyl)-2-[(5R)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 135764192
N-(2,3-dimethylphenyl)-2-[(5R)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135834030
2-(4-chlorophenyl)imino-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 135446671
2-[(5S)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 135956752
5-ethyl-2-phenylimino-1,3-thiazolidin-4-one
CID 135523619
2-[(5S)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135813235

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(4-ethoxyphenyl)imino-5-phenacyl-1,3-thiazolidin-4-one?
The IUPAC name of (5R)-2-(4-ethoxyphenyl)imino-5-phenacyl-1,3-thiazolidin-4-one (CID 135856685) is (5R)-2-(4-ethoxyphenyl)imino-5-phenacyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5R)-2-(4-ethoxyphenyl)imino-5-phenacyl-1,3-thiazolidin-4-one?
The canonical SMILES for (5R)-2-(4-ethoxyphenyl)imino-5-phenacyl-1,3-thiazolidin-4-one is CCOc1ccc(/N=C2\NC(=O)[C@@H](CC(=O)c3ccccc3)S2)cc1.
What is the InChIKey of (5R)-2-(4-ethoxyphenyl)imino-5-phenacyl-1,3-thiazolidin-4-one?
The InChIKey is OZZFCCWEFAGBHN-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-2-24-15-10-8-14(9-11-15)20-19-21-18(23)17(25-19)12-16(22)13-6-4-3-5-7-13/h3-11,17H,2,12H2,1H3,(H,20,21,23)/t17-/m1/s1.
What are the key properties of (5R)-2-(4-ethoxyphenyl)imino-5-phenacyl-1,3-thiazolidin-4-one?
(5R)-2-(4-ethoxyphenyl)imino-5-phenacyl-1,3-thiazolidin-4-one has a molecular weight of 354.43 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(4-ethoxyphenyl)imino-5-phenacyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135856685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).