2-[(5R)-2-[2-(diethylamino)ethylimino]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide

C18H26N4O3S — CID 135692132

IUPAC2-[(5R)-2-[2-(diethylamino)ethylimino]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
SMILESCCN(CC)CC/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccccc2OC)S1
InChIInChI=1S/C18H26N4O3S/c1-4-22(5-2)11-10-19-18-21-17(24)15(26-18)12-16(23)20-13-8-6-7-9-14(13)25-3/h6-9,15H,4-5,10-12H2,1-3H3,(H,20,23)(H,19,21,24)/t15-/m1/s1
InChIKeyDQUIGMRHGHSQKL-OAHLLOKOSA-N
MW378.50 g/mol
LogP1.95
Rot. Bonds9

About 2-[(5R)-2-[2-(diethylamino)ethylimino]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide

2-[(5R)-2-[2-(diethylamino)ethylimino]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 135692132) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is 2-[(5R)-2-[2-(diethylamino)ethylimino]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(5R)-2-[2-(diethylamino)ethylimino]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID135692132
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC Name2-[(5R)-2-[2-(diethylamino)ethylimino]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
SMILESCCN(CC)CC/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccccc2OC)S1
InChIInChI=1S/C18H26N4O3S/c1-4-22(5-2)11-10-19-18-21-17(24)15(26-18)12-16(23)20-13-8-6-7-9-14(13)25-3/h6-9,15H,4-5,10-12H2,1-3H3,(H,20,23)(H,19,21,24)/t15-/m1/s1
InChIKeyDQUIGMRHGHSQKL-OAHLLOKOSA-N
XLogP1.95
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyphenyl)-2-[(5R)-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691840
2-[(5S)-2-tert-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 135691940
2-[(5S)-2-(2,6-diethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 135725287
N-(2-methoxyphenyl)-2-[(5R)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691624
2-[(5S)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 135692137
N-(2-methoxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
CID 25220287
N-(2-fluorophenyl)-2-[(5R)-2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135836367
N-(2-methoxyphenyl)-2-[(2E,5S)-4-oxo-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 135779978
N-(2-methoxyphenyl)-2-[4-oxo-2-(1-phenylethylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135527947
2-[(5R)-2-(3,3-dimethylbutan-2-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 137231455
2-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135537406
N-(2-methoxyphenyl)-2-[(2E,5S)-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135852754

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-2-[2-(diethylamino)ethylimino]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[(5R)-2-[2-(diethylamino)ethylimino]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide (CID 135692132) is 2-[(5R)-2-[2-(diethylamino)ethylimino]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(5R)-2-[2-(diethylamino)ethylimino]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(5R)-2-[2-(diethylamino)ethylimino]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide is CCN(CC)CC/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccccc2OC)S1.
What is the InChIKey of 2-[(5R)-2-[2-(diethylamino)ethylimino]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is DQUIGMRHGHSQKL-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-4-22(5-2)11-10-19-18-21-17(24)15(26-18)12-16(23)20-13-8-6-7-9-14(13)25-3/h6-9,15H,4-5,10-12H2,1-3H3,(H,20,23)(H,19,21,24)/t15-/m1/s1.
What are the key properties of 2-[(5R)-2-[2-(diethylamino)ethylimino]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide?
2-[(5R)-2-[2-(diethylamino)ethylimino]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 378.50 g/mol, XLogP of 1.95, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-2-[2-(diethylamino)ethylimino]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 135692132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).