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

C19H18FN3O2S — CID 99806121

IUPAC2-[(5R)-3-(4-ethylphenyl)-2-imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
SMILES[H]/N=C1\S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1c1ccc(CC)cc1
InChIInChI=1S/C19H18FN3O2S/c1-2-12-3-9-15(10-4-12)23-18(25)16(26-19(23)21)11-17(24)22-14-7-5-13(20)6-8-14/h3-10,16,21H,2,11H2,1H3,(H,22,24)/b21-19-/t16-/m1/s1
InChIKeyLIYLVPGMODFBFO-BSBNDGSWSA-N
MW371.44 g/mol
LogP3.80
Rot. Bonds5

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

2-[(5R)-3-(4-ethylphenyl)-2-imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 99806121) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[(5R)-3-(4-ethylphenyl)-2-imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(5R)-3-(4-ethylphenyl)-2-imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
PubChem CID99806121
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC Name2-[(5R)-3-(4-ethylphenyl)-2-imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
SMILES[H]/N=C1\S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1c1ccc(CC)cc1
InChIInChI=1S/C19H18FN3O2S/c1-2-12-3-9-15(10-4-12)23-18(25)16(26-19(23)21)11-17(24)22-14-7-5-13(20)6-8-14/h3-10,16,21H,2,11H2,1H3,(H,22,24)/b21-19-/t16-/m1/s1
InChIKeyLIYLVPGMODFBFO-BSBNDGSWSA-N
XLogP3.80
TPSA73.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-3-(4-ethylphenyl)-2-imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(5R)-3-(4-ethylphenyl)-2-imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide (CID 99806121) is 2-[(5R)-3-(4-ethylphenyl)-2-imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(5R)-3-(4-ethylphenyl)-2-imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(5R)-3-(4-ethylphenyl)-2-imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide is [H]/N=C1\S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1c1ccc(CC)cc1.
What is the InChIKey of 2-[(5R)-3-(4-ethylphenyl)-2-imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is LIYLVPGMODFBFO-BSBNDGSWSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c1-2-12-3-9-15(10-4-12)23-18(25)16(26-19(23)21)11-17(24)22-14-7-5-13(20)6-8-14/h3-10,16,21H,2,11H2,1H3,(H,22,24)/b21-19-/t16-/m1/s1.
What are the key properties of 2-[(5R)-3-(4-ethylphenyl)-2-imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide?
2-[(5R)-3-(4-ethylphenyl)-2-imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 371.44 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-3-(4-ethylphenyl)-2-imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 99806121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).