2-[(5R)-3-cyclopropyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide

C21H20FN3O3S — CID 8715957

IUPAC2-[(5R)-3-cyclopropyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
SMILESCOc1ccc(/N=C2\S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CC2)cc1
InChIInChI=1S/C21H20FN3O3S/c1-28-15-10-6-13(7-11-15)23-21-25(14-8-9-14)20(27)18(29-21)12-19(26)24-17-5-3-2-4-16(17)22/h2-7,10-11,14,18H,8-9,12H2,1H3,(H,24,26)/b23-21-/t18-/m1/s1
InChIKeyMSWPRQMUVRCDJW-GLEDVZQVSA-N
MW413.47 g/mol
LogP3.96
Rot. Bonds6

About 2-[(5R)-3-cyclopropyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide

2-[(5R)-3-cyclopropyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 8715957) has the molecular formula C21H20FN3O3S and a molecular weight of 413.47 g/mol. Its IUPAC name is 2-[(5R)-3-cyclopropyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(5R)-3-cyclopropyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
PubChem CID8715957
Molecular FormulaC21H20FN3O3S
Molecular Weight413.47 g/mol
Exact Mass413.12
IUPAC Name2-[(5R)-3-cyclopropyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
SMILESCOc1ccc(/N=C2\S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CC2)cc1
InChIInChI=1S/C21H20FN3O3S/c1-28-15-10-6-13(7-11-15)23-21-25(14-8-9-14)20(27)18(29-21)12-19(26)24-17-5-3-2-4-16(17)22/h2-7,10-11,14,18H,8-9,12H2,1H3,(H,24,26)/b23-21-/t18-/m1/s1
InChIKeyMSWPRQMUVRCDJW-GLEDVZQVSA-N
XLogP3.96
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(5S)-3-cyclopropyl-2-(3,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 2700552
2-[(5S)-3-cyclopentyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 2372205
N-(2-fluorophenyl)-2-[(5R)-2-(4-methoxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 7974369
2-[3-cyclopropyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 42990676
2-[(5R)-3-cyclopropyl-2-(4-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 8715927
2-[(5R)-3-cyclopropyl-2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 8716025
N-(2-fluorophenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 16555632
2-[(5S)-3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 8715693
N-(2-chlorophenyl)-2-[(5S)-2-(4-fluorophenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 41244460
2-[(5S)-3-cyclopropyl-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 8715980
N-(3-chloro-4-methoxyphenyl)-2-(3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
CID 42993771
2-[(5R)-3-cyclopropyl-2-(2,3-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 8715573

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-3-cyclopropyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[(5R)-3-cyclopropyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide (CID 8715957) is 2-[(5R)-3-cyclopropyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(5R)-3-cyclopropyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[(5R)-3-cyclopropyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide is COc1ccc(/N=C2\S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CC2)cc1.
What is the InChIKey of 2-[(5R)-3-cyclopropyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is MSWPRQMUVRCDJW-GLEDVZQVSA-N. The full InChI is InChI=1S/C21H20FN3O3S/c1-28-15-10-6-13(7-11-15)23-21-25(14-8-9-14)20(27)18(29-21)12-19(26)24-17-5-3-2-4-16(17)22/h2-7,10-11,14,18H,8-9,12H2,1H3,(H,24,26)/b23-21-/t18-/m1/s1.
What are the key properties of 2-[(5R)-3-cyclopropyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide?
2-[(5R)-3-cyclopropyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 413.47 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-3-cyclopropyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 8715957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).