N-(2,4-difluorophenyl)-2-[2-(2-fluorophenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide

C23H23F3N4O3S — CID 4518152

IUPACN-(2,4-difluorophenyl)-2-[2-(2-fluorophenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(CC1S/C(=N\c2ccccc2F)N(CCN2CCOCC2)C1=O)Nc1ccc(F)cc1F
InChIInChI=1S/C23H23F3N4O3S/c24-15-5-6-19(17(26)13-15)27-21(31)14-20-22(32)30(8-7-29-9-11-33-12-10-29)23(34-20)28-18-4-2-1-3-16(18)25/h1-6,13,20H,7-12,14H2,(H,27,31)/b28-23-
InChIKeyQUZDAUXLZDTLIB-NFFVHWSESA-N
MW492.52 g/mol
LogP3.40
Rot. Bonds7

About N-(2,4-difluorophenyl)-2-[2-(2-fluorophenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(2,4-difluorophenyl)-2-[2-(2-fluorophenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 4518152) has the molecular formula C23H23F3N4O3S and a molecular weight of 492.52 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[2-(2-fluorophenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[2-(2-fluorophenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID4518152
Molecular FormulaC23H23F3N4O3S
Molecular Weight492.52 g/mol
Exact Mass492.14
IUPAC NameN-(2,4-difluorophenyl)-2-[2-(2-fluorophenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(CC1S/C(=N\c2ccccc2F)N(CCN2CCOCC2)C1=O)Nc1ccc(F)cc1F
InChIInChI=1S/C23H23F3N4O3S/c24-15-5-6-19(17(26)13-15)27-21(31)14-20-22(32)30(8-7-29-9-11-33-12-10-29)23(34-20)28-18-4-2-1-3-16(18)25/h1-6,13,20H,7-12,14H2,(H,27,31)/b28-23-
InChIKeyQUZDAUXLZDTLIB-NFFVHWSESA-N
XLogP3.40
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.52
LogP ≤ 53.40
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

2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 135464466
2-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 4336212
2-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3974387
N-(4-fluorophenyl)-2-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl)acetamide
CID 4330211
N-(2-fluorophenyl)-2-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl)acetamide
CID 4818714
2-[3-(2-hydroxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 3136261
2-[3-methyl-2-(methylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-[4-(4-morpholinyl)phenyl]acetamide
CID 2939340
2-[(2Z)-3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-[4-(morpholin-4-yl)phenyl]acetamide
CID 3147898
2-[2-(3,5-dimethylphenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 3570860
N-(4-fluorophenyl)-5-oxo-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazine-7-carboxamide
CID 3155925
N-(4-fluorophenyl)-2-[(2Z)-4-oxo-3-phenyl-2-(phenylimino)-1,3-thiazolidin-5-yl]acetamide
CID 2870409
(2Z)-3-ethyl-2-(ethylimino)-N-(4-fluorophenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 3139561

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[2-(2-fluorophenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[2-(2-fluorophenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 4518152) is N-(2,4-difluorophenyl)-2-[2-(2-fluorophenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[2-(2-fluorophenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[2-(2-fluorophenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide is O=C(CC1S/C(=N\c2ccccc2F)N(CCN2CCOCC2)C1=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[2-(2-fluorophenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is QUZDAUXLZDTLIB-NFFVHWSESA-N. The full InChI is InChI=1S/C23H23F3N4O3S/c24-15-5-6-19(17(26)13-15)27-21(31)14-20-22(32)30(8-7-29-9-11-33-12-10-29)23(34-20)28-18-4-2-1-3-16(18)25/h1-6,13,20H,7-12,14H2,(H,27,31)/b28-23-.
What are the key properties of N-(2,4-difluorophenyl)-2-[2-(2-fluorophenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(2,4-difluorophenyl)-2-[2-(2-fluorophenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 492.52 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[2-(2-fluorophenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 4518152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).