5-[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-2-imino-1,3-thiazolidin-4-one

C18H14FN3O3S — CID 171128399

IUPAC5-[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\NC(=O)C(C2(O)C(=O)N(Cc3ccc(F)cc3)c3ccccc32)S1
InChIInChI=1S/C18H14FN3O3S/c19-11-7-5-10(6-8-11)9-22-13-4-2-1-3-12(13)18(25,16(22)24)14-15(23)21-17(20)26-14/h1-8,14,25H,9H2,(H2,20,21,23)
InChIKeyZFNWNKBTJYUPIO-UHFFFAOYSA-N
MW371.39 g/mol
LogP1.73
Rot. Bonds3

About 5-[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-2-imino-1,3-thiazolidin-4-one

5-[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-2-imino-1,3-thiazolidin-4-one (PubChem CID 171128399) has the molecular formula C18H14FN3O3S and a molecular weight of 371.39 g/mol. Its IUPAC name is 5-[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-2-imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-2-imino-1,3-thiazolidin-4-one
PubChem CID171128399
Molecular FormulaC18H14FN3O3S
Molecular Weight371.39 g/mol
Exact Mass371.07
IUPAC Name5-[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\NC(=O)C(C2(O)C(=O)N(Cc3ccc(F)cc3)c3ccccc32)S1
InChIInChI=1S/C18H14FN3O3S/c19-11-7-5-10(6-8-11)9-22-13-4-2-1-3-12(13)18(25,16(22)24)14-15(23)21-17(20)26-14/h1-8,14,25H,9H2,(H2,20,21,23)
InChIKeyZFNWNKBTJYUPIO-UHFFFAOYSA-N
XLogP1.73
TPSA93.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 5-[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-2-imino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-2-imino-1,3-thiazolidin-4-one (CID 171128399) is 5-[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-2-imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-2-imino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-2-imino-1,3-thiazolidin-4-one is [H]/N=C1\NC(=O)C(C2(O)C(=O)N(Cc3ccc(F)cc3)c3ccccc32)S1.
What is the InChIKey of 5-[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-2-imino-1,3-thiazolidin-4-one?
The InChIKey is ZFNWNKBTJYUPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O3S/c19-11-7-5-10(6-8-11)9-22-13-4-2-1-3-12(13)18(25,16(22)24)14-15(23)21-17(20)26-14/h1-8,14,25H,9H2,(H2,20,21,23).
What are the key properties of 5-[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-2-imino-1,3-thiazolidin-4-one?
5-[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-2-imino-1,3-thiazolidin-4-one has a molecular weight of 371.39 g/mol, XLogP of 1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-2-imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 171128399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).