N-(2,5-dimethylphenyl)-2-[(5R)-2-(3-fluoro-4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide

C20H20FN3O2S — CID 135704953

IUPACN-(2,5-dimethylphenyl)-2-[(5R)-2-(3-fluoro-4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCc1ccc(C)c(NC(=O)C[C@H]2S/C(=N\c3ccc(C)c(F)c3)NC2=O)c1
InChIInChI=1S/C20H20FN3O2S/c1-11-4-5-13(3)16(8-11)23-18(25)10-17-19(26)24-20(27-17)22-14-7-6-12(2)15(21)9-14/h4-9,17H,10H2,1-3H3,(H,23,25)(H,22,24,26)/t17-/m1/s1
InChIKeyGZQJSPKZUYCFBL-QGZVFWFLSA-N
MW385.46 g/mol
LogP4.00
Rot. Bonds4

About N-(2,5-dimethylphenyl)-2-[(5R)-2-(3-fluoro-4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(2,5-dimethylphenyl)-2-[(5R)-2-(3-fluoro-4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135704953) has the molecular formula C20H20FN3O2S and a molecular weight of 385.46 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[(5R)-2-(3-fluoro-4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[(5R)-2-(3-fluoro-4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID135704953
Molecular FormulaC20H20FN3O2S
Molecular Weight385.46 g/mol
Exact Mass385.13
IUPAC NameN-(2,5-dimethylphenyl)-2-[(5R)-2-(3-fluoro-4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCc1ccc(C)c(NC(=O)C[C@H]2S/C(=N\c3ccc(C)c(F)c3)NC2=O)c1
InChIInChI=1S/C20H20FN3O2S/c1-11-4-5-13(3)16(8-11)23-18(25)10-17-19(26)24-20(27-17)22-14-7-6-12(2)15(21)9-14/h4-9,17H,10H2,1-3H3,(H,23,25)(H,22,24,26)/t17-/m1/s1
InChIKeyGZQJSPKZUYCFBL-QGZVFWFLSA-N
XLogP4.00
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5R)-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 135691905
N-(2,5-dimethylphenyl)-2-[(2E)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135641404
N-(2,4-difluorophenyl)-2-[(5R)-2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135692014
N-(3-chloro-4-fluorophenyl)-2-[(5S)-2-(3-fluoro-4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135704947
N-(3-chloro-4-fluorophenyl)-2-[(5R)-2-(3-fluoro-4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135704948
2-[(5S)-2-(3-fluoro-4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 135704935
2-[(5S)-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 135691661
N-(2,4-difluorophenyl)-2-[(5R)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135749167
2-[(5R)-2-(3-fluoro-4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
CID 135704934
2-[(5S)-2-(3-fluoro-4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
CID 135704933
2-[(5S)-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 135704966
N-(2,3-dimethylphenyl)-2-[(5R)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 136704992

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[(5R)-2-(3-fluoro-4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[(5R)-2-(3-fluoro-4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 135704953) is N-(2,5-dimethylphenyl)-2-[(5R)-2-(3-fluoro-4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[(5R)-2-(3-fluoro-4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[(5R)-2-(3-fluoro-4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is Cc1ccc(C)c(NC(=O)C[C@H]2S/C(=N\c3ccc(C)c(F)c3)NC2=O)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[(5R)-2-(3-fluoro-4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is GZQJSPKZUYCFBL-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H20FN3O2S/c1-11-4-5-13(3)16(8-11)23-18(25)10-17-19(26)24-20(27-17)22-14-7-6-12(2)15(21)9-14/h4-9,17H,10H2,1-3H3,(H,23,25)(H,22,24,26)/t17-/m1/s1.
What are the key properties of N-(2,5-dimethylphenyl)-2-[(5R)-2-(3-fluoro-4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(2,5-dimethylphenyl)-2-[(5R)-2-(3-fluoro-4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 385.46 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[(5R)-2-(3-fluoro-4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135704953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).