2-[3-(2-morpholin-4-ylethyl)-2-(2-nitrophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide

C23H25N5O5S — CID 4664432

IUPAC2-[3-(2-morpholin-4-ylethyl)-2-(2-nitrophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESO=C(CC1S/C(=N\c2ccccc2[N+](=O)[O-])N(CCN2CCOCC2)C1=O)Nc1ccccc1
InChIInChI=1S/C23H25N5O5S/c29-21(24-17-6-2-1-3-7-17)16-20-22(30)27(11-10-26-12-14-33-15-13-26)23(34-20)25-18-8-4-5-9-19(18)28(31)32/h1-9,20H,10-16H2,(H,24,29)/b25-23-
InChIKeyDZGUGIBFNSZKQO-BZZOAKBMSA-N
MW483.55 g/mol
LogP2.89
Rot. Bonds8

About 2-[3-(2-morpholin-4-ylethyl)-2-(2-nitrophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide

2-[3-(2-morpholin-4-ylethyl)-2-(2-nitrophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide (PubChem CID 4664432) has the molecular formula C23H25N5O5S and a molecular weight of 483.55 g/mol. Its IUPAC name is 2-[3-(2-morpholin-4-ylethyl)-2-(2-nitrophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-(2-morpholin-4-ylethyl)-2-(2-nitrophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
PubChem CID4664432
Molecular FormulaC23H25N5O5S
Molecular Weight483.55 g/mol
Exact Mass483.16
IUPAC Name2-[3-(2-morpholin-4-ylethyl)-2-(2-nitrophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESO=C(CC1S/C(=N\c2ccccc2[N+](=O)[O-])N(CCN2CCOCC2)C1=O)Nc1ccccc1
InChIInChI=1S/C23H25N5O5S/c29-21(24-17-6-2-1-3-7-17)16-20-22(30)27(11-10-26-12-14-33-15-13-26)23(34-20)25-18-8-4-5-9-19(18)28(31)32/h1-9,20H,10-16H2,(H,24,29)/b25-23-
InChIKeyDZGUGIBFNSZKQO-BZZOAKBMSA-N
XLogP2.89
TPSA117.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(5S)-2-(3-chloro-4-fluorophenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 25362043
N-(3-chlorophenyl)-2-[3-(2-morpholin-4-ylethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 5200597
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(2-morpholin-4-ylethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 3950474
N-(2-bromophenyl)-2-[2-(2-fluorophenyl)imino-3-(3-morpholin-4-ylpropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 3999051
2-[2-(1,3-benzodioxol-5-ylimino)-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 3426662
N-(4-nitrophenyl)-2-[(5S)-4-oxo-3-(2-phenylethyl)-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 40732511
2-[(5S)-2-(4-fluorophenyl)imino-3-(3-morpholin-4-ylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 32522723
2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 7796868
2-(3-ethyl-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide
CID 21368928
2-[(5S)-2-(4-morpholin-4-ylsulfonylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 26916396
N-(3-chloro-2-methylphenyl)-2-[(5S)-3-(3-morpholin-4-ylpropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 26860216
2-[[(5S)-5-(2-anilino-2-oxoethyl)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 7025639

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-morpholin-4-ylethyl)-2-(2-nitrophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The IUPAC name of 2-[3-(2-morpholin-4-ylethyl)-2-(2-nitrophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide (CID 4664432) is 2-[3-(2-morpholin-4-ylethyl)-2-(2-nitrophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[3-(2-morpholin-4-ylethyl)-2-(2-nitrophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The canonical SMILES for 2-[3-(2-morpholin-4-ylethyl)-2-(2-nitrophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide is O=C(CC1S/C(=N\c2ccccc2[N+](=O)[O-])N(CCN2CCOCC2)C1=O)Nc1ccccc1.
What is the InChIKey of 2-[3-(2-morpholin-4-ylethyl)-2-(2-nitrophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The InChIKey is DZGUGIBFNSZKQO-BZZOAKBMSA-N. The full InChI is InChI=1S/C23H25N5O5S/c29-21(24-17-6-2-1-3-7-17)16-20-22(30)27(11-10-26-12-14-33-15-13-26)23(34-20)25-18-8-4-5-9-19(18)28(31)32/h1-9,20H,10-16H2,(H,24,29)/b25-23-.
What are the key properties of 2-[3-(2-morpholin-4-ylethyl)-2-(2-nitrophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
2-[3-(2-morpholin-4-ylethyl)-2-(2-nitrophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide has a molecular weight of 483.55 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-morpholin-4-ylethyl)-2-(2-nitrophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide is sourced from PubChem (CID 4664432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).