2-(2-fluorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one

C12H13FN2OS — CID 135581720

IUPAC2-(2-fluorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)C1S/C(=N/c2ccccc2F)NC1=O
InChIInChI=1S/C12H13FN2OS/c1-7(2)10-11(16)15-12(17-10)14-9-6-4-3-5-8(9)13/h3-7,10H,1-2H3,(H,14,15,16)
InChIKeyOJJBBNIYQKFZDK-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.70
Rot. Bonds2

About 2-(2-fluorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one

2-(2-fluorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one (PubChem CID 135581720) has the molecular formula C12H13FN2OS and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(2-fluorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
PubChem CID135581720
Molecular FormulaC12H13FN2OS
Molecular Weight252.31 g/mol
Exact Mass252.07
IUPAC Name2-(2-fluorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)C1S/C(=N/c2ccccc2F)NC1=O
InChIInChI=1S/C12H13FN2OS/c1-7(2)10-11(16)15-12(17-10)14-9-6-4-3-5-8(9)13/h3-7,10H,1-2H3,(H,14,15,16)
InChIKeyOJJBBNIYQKFZDK-UHFFFAOYSA-N
XLogP2.70
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-fluorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-fluorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one (CID 135581720) is 2-(2-fluorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-fluorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-fluorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one is CC(C)C1S/C(=N/c2ccccc2F)NC1=O.
What is the InChIKey of 2-(2-fluorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one?
The InChIKey is OJJBBNIYQKFZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2OS/c1-7(2)10-11(16)15-12(17-10)14-9-6-4-3-5-8(9)13/h3-7,10H,1-2H3,(H,14,15,16).
What are the key properties of 2-(2-fluorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one?
2-(2-fluorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one has a molecular weight of 252.31 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135581720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).