2-[3-(2,2-difluoroethyl)-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide

C16H19F2N3O2S — CID 167901232

IUPAC2-[3-(2,2-difluoroethyl)-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide
SMILESCNC(=O)CC1S/C(=N\c2cc(C)ccc2C)N(CC(F)F)C1=O
InChIInChI=1S/C16H19F2N3O2S/c1-9-4-5-10(2)11(6-9)20-16-21(8-13(17)18)15(23)12(24-16)7-14(22)19-3/h4-6,12-13H,7-8H2,1-3H3,(H,19,22)/b20-16-
InChIKeyMQKSBBZEZYNEGU-SILNSSARSA-N
MW355.41 g/mol
LogP2.64
Rot. Bonds5

About 2-[3-(2,2-difluoroethyl)-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide

2-[3-(2,2-difluoroethyl)-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide (PubChem CID 167901232) has the molecular formula C16H19F2N3O2S and a molecular weight of 355.41 g/mol. Its IUPAC name is 2-[3-(2,2-difluoroethyl)-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-(2,2-difluoroethyl)-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide
PubChem CID167901232
Molecular FormulaC16H19F2N3O2S
Molecular Weight355.41 g/mol
Exact Mass355.12
IUPAC Name2-[3-(2,2-difluoroethyl)-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide
SMILESCNC(=O)CC1S/C(=N\c2cc(C)ccc2C)N(CC(F)F)C1=O
InChIInChI=1S/C16H19F2N3O2S/c1-9-4-5-10(2)11(6-9)20-16-21(8-13(17)18)15(23)12(24-16)7-14(22)19-3/h4-6,12-13H,7-8H2,1-3H3,(H,19,22)/b20-16-
InChIKeyMQKSBBZEZYNEGU-SILNSSARSA-N
XLogP2.64
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethylphenyl)-2-[2-(2,5-dimethylphenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 42994016
N-(2,4-difluorophenyl)-2-[2-(2,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 42994000
2-[(5S)-3-cyclopropyl-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 8715661
2-[2-(2,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 4028853
N-(2,5-dimethylphenyl)-2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]acetamide
CID 7974495
2-[(5R)-2-(2,5-dimethylphenyl)imino-4-oxo-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 2425799
N-(2,5-dimethylphenyl)-2-[3-(3-methoxypropyl)-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 18267547
N-(3-chlorophenyl)-2-[3-cyclopropyl-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 16555650
N-(4-fluorophenyl)-2-[(5S)-2-(4-methylphenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 7974243
2-[3-[(4-methoxy-3-methylphenyl)methyl]-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide
CID 146088209
N-(3,4-dimethoxyphenyl)-2-[2-(2,5-dimethylphenyl)imino-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 42993996
2-[(5S)-2-(5-chloro-2-methylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,6-dimethylphenyl)acetamide
CID 9498919

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-difluoroethyl)-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide?
The IUPAC name of 2-[3-(2,2-difluoroethyl)-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide (CID 167901232) is 2-[3-(2,2-difluoroethyl)-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide.
What is the SMILES notation for 2-[3-(2,2-difluoroethyl)-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide?
The canonical SMILES for 2-[3-(2,2-difluoroethyl)-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide is CNC(=O)CC1S/C(=N\c2cc(C)ccc2C)N(CC(F)F)C1=O.
What is the InChIKey of 2-[3-(2,2-difluoroethyl)-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide?
The InChIKey is MQKSBBZEZYNEGU-SILNSSARSA-N. The full InChI is InChI=1S/C16H19F2N3O2S/c1-9-4-5-10(2)11(6-9)20-16-21(8-13(17)18)15(23)12(24-16)7-14(22)19-3/h4-6,12-13H,7-8H2,1-3H3,(H,19,22)/b20-16-.
What are the key properties of 2-[3-(2,2-difluoroethyl)-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide?
2-[3-(2,2-difluoroethyl)-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide has a molecular weight of 355.41 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-difluoroethyl)-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide is sourced from PubChem (CID 167901232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).