2-[(5S)-3-cyclopentyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide

C22H22FN3O2S — CID 2372205

IUPAC2-[(5S)-3-cyclopentyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
SMILESO=C(C[C@@H]1S/C(=N\c2ccccc2)N(C2CCCC2)C1=O)Nc1ccccc1F
InChIInChI=1S/C22H22FN3O2S/c23-17-12-6-7-13-18(17)25-20(27)14-19-21(28)26(16-10-4-5-11-16)22(29-19)24-15-8-2-1-3-9-15/h1-3,6-9,12-13,16,19H,4-5,10-11,14H2,(H,25,27)/b24-22-/t19-/m0/s1
InChIKeyPNMNTTCESVTIDL-COPMAWBXSA-N
MW411.50 g/mol
LogP4.73
Rot. Bonds5

About 2-[(5S)-3-cyclopentyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide

2-[(5S)-3-cyclopentyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 2372205) has the molecular formula C22H22FN3O2S and a molecular weight of 411.50 g/mol. Its IUPAC name is 2-[(5S)-3-cyclopentyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(5S)-3-cyclopentyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
PubChem CID2372205
Molecular FormulaC22H22FN3O2S
Molecular Weight411.50 g/mol
Exact Mass411.14
IUPAC Name2-[(5S)-3-cyclopentyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
SMILESO=C(C[C@@H]1S/C(=N\c2ccccc2)N(C2CCCC2)C1=O)Nc1ccccc1F
InChIInChI=1S/C22H22FN3O2S/c23-17-12-6-7-13-18(17)25-20(27)14-19-21(28)26(16-10-4-5-11-16)22(29-19)24-15-8-2-1-3-9-15/h1-3,6-9,12-13,16,19H,4-5,10-11,14H2,(H,25,27)/b24-22-/t19-/m0/s1
InChIKeyPNMNTTCESVTIDL-COPMAWBXSA-N
XLogP4.73
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 54.73
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

2-[(5S)-3-cyclopropyl-2-(3,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 2700552
2-[(5R)-3-cyclopropyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 8715957
N-(2-fluorophenyl)-2-[(5S)-4-oxo-2-phenylimino-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 7974103
2-[3-cyclopentyl-2-(3,4-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4-difluorophenyl)acetamide
CID 4584577
2-[(5S)-3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 8715693
2-(3-cyclopentyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(3-nitrophenyl)acetamide
CID 42990625
N-(2-fluorophenyl)-2-[(5S)-3-(3-methylbutyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 8715702
N-(3-chlorophenyl)-2-[(5S)-3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 2367516
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-[(5S)-3-cyclopropyl-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 8715564
2-[2-(3,5-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 21368849

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-3-cyclopentyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[(5S)-3-cyclopentyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide (CID 2372205) is 2-[(5S)-3-cyclopentyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(5S)-3-cyclopentyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[(5S)-3-cyclopentyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide is O=C(C[C@@H]1S/C(=N\c2ccccc2)N(C2CCCC2)C1=O)Nc1ccccc1F.
What is the InChIKey of 2-[(5S)-3-cyclopentyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is PNMNTTCESVTIDL-COPMAWBXSA-N. The full InChI is InChI=1S/C22H22FN3O2S/c23-17-12-6-7-13-18(17)25-20(27)14-19-21(28)26(16-10-4-5-11-16)22(29-19)24-15-8-2-1-3-9-15/h1-3,6-9,12-13,16,19H,4-5,10-11,14H2,(H,25,27)/b24-22-/t19-/m0/s1.
What are the key properties of 2-[(5S)-3-cyclopentyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide?
2-[(5S)-3-cyclopentyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 411.50 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-3-cyclopentyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 2372205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).