N-(3-chlorophenyl)-2-[3-(2-morpholin-4-ylethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide

C23H25ClN4O3S — CID 5200597

IUPACN-(3-chlorophenyl)-2-[3-(2-morpholin-4-ylethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(CC1S/C(=N\c2ccccc2)N(CCN2CCOCC2)C1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C23H25ClN4O3S/c24-17-5-4-8-19(15-17)25-21(29)16-20-22(30)28(10-9-27-11-13-31-14-12-27)23(32-20)26-18-6-2-1-3-7-18/h1-8,15,20H,9-14,16H2,(H,25,29)/b26-23-
InChIKeyGKBPEWAQXZAUSH-RWEWTDSWSA-N
MW473.00 g/mol
LogP3.63
Rot. Bonds7

About N-(3-chlorophenyl)-2-[3-(2-morpholin-4-ylethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide

N-(3-chlorophenyl)-2-[3-(2-morpholin-4-ylethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide (PubChem CID 5200597) has the molecular formula C23H25ClN4O3S and a molecular weight of 473.00 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[3-(2-morpholin-4-ylethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[3-(2-morpholin-4-ylethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
PubChem CID5200597
Molecular FormulaC23H25ClN4O3S
Molecular Weight473.00 g/mol
Exact Mass472.13
IUPAC NameN-(3-chlorophenyl)-2-[3-(2-morpholin-4-ylethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(CC1S/C(=N\c2ccccc2)N(CCN2CCOCC2)C1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C23H25ClN4O3S/c24-17-5-4-8-19(15-17)25-21(29)16-20-22(30)28(10-9-27-11-13-31-14-12-27)23(32-20)26-18-6-2-1-3-7-18/h1-8,15,20H,9-14,16H2,(H,25,29)/b26-23-
InChIKeyGKBPEWAQXZAUSH-RWEWTDSWSA-N
XLogP3.63
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.00
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(2-morpholin-4-ylethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 3950474
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-(4-oxo-2-phenylimino-3-propyl-1,3-thiazolidin-5-yl)acetamide
CID 16555653
N-(3-chlorophenyl)-2-[(5S)-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 6597360
N-(3-chloro-2-methylphenyl)-2-[(5S)-3-(3-morpholin-4-ylpropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 26860216
N-(3-chlorophenyl)-2-[(5S)-3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 2367516
2-[(5S)-2-(3-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 7324032
2-[(5R)-3-benzyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-chlorophenyl)acetamide
CID 41245307
2-[3-(2-morpholin-4-ylethyl)-2-(2-nitrophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 4664432
N-(3-chlorophenyl)-2-[(5R)-3-ethyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 40647344
N-(3-chlorophenyl)-2-[2-(3-methylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide
CID 16555633
N-(3-chlorophenyl)-2-[(5S)-2-[3-(dimethylsulfamoyl)phenyl]imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]acetamide
CID 25420594

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[3-(2-morpholin-4-ylethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[3-(2-morpholin-4-ylethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide (CID 5200597) is N-(3-chlorophenyl)-2-[3-(2-morpholin-4-ylethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[3-(2-morpholin-4-ylethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[3-(2-morpholin-4-ylethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide is O=C(CC1S/C(=N\c2ccccc2)N(CCN2CCOCC2)C1=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[3-(2-morpholin-4-ylethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is GKBPEWAQXZAUSH-RWEWTDSWSA-N. The full InChI is InChI=1S/C23H25ClN4O3S/c24-17-5-4-8-19(15-17)25-21(29)16-20-22(30)28(10-9-27-11-13-31-14-12-27)23(32-20)26-18-6-2-1-3-7-18/h1-8,15,20H,9-14,16H2,(H,25,29)/b26-23-.
What are the key properties of N-(3-chlorophenyl)-2-[3-(2-morpholin-4-ylethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide?
N-(3-chlorophenyl)-2-[3-(2-morpholin-4-ylethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 473.00 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[3-(2-morpholin-4-ylethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 5200597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).