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

C12H13FN2OS — CID 135566336

IUPAC(5R)-2-(2-fluorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)[C@H]1S/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)/t10-/m1/s1
InChIKeyOJJBBNIYQKFZDK-SNVBAGLBSA-N
MW252.31 g/mol
LogP2.70
Rot. Bonds2

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

(5R)-2-(2-fluorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one (PubChem CID 135566336) has the molecular formula C12H13FN2OS and a molecular weight of 252.31 g/mol. Its IUPAC name is (5R)-2-(2-fluorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5R)-2-(2-fluorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
PubChem CID135566336
Molecular FormulaC12H13FN2OS
Molecular Weight252.31 g/mol
Exact Mass252.07
IUPAC Name(5R)-2-(2-fluorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)[C@H]1S/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)/t10-/m1/s1
InChIKeyOJJBBNIYQKFZDK-SNVBAGLBSA-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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Related Compounds

2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989898
2-(4-methoxyphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 137292283
5-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one
CID 137292365
2-tert-butylimino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 137292366
(2Z)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135986920
2-(hydroxymethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one
CID 173496185
2-[(2S)-3,3-dimethylbutan-2-yl]imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989472
(2Z,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135916192
(2Z,5S)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135850813
2-[(5S)-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 135691661
2-(2-fluorophenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135486755
(5E)-2-(2-fluorophenyl)imino-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 135529226

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(2-fluorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of (5R)-2-(2-fluorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one (CID 135566336) is (5R)-2-(2-fluorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5R)-2-(2-fluorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for (5R)-2-(2-fluorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one is CC(C)[C@H]1S/C(=N/c2ccccc2F)NC1=O.
What is the InChIKey of (5R)-2-(2-fluorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one?
The InChIKey is OJJBBNIYQKFZDK-SNVBAGLBSA-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)/t10-/m1/s1.
What are the key properties of (5R)-2-(2-fluorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one?
(5R)-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 (5R)-2-(2-fluorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135566336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).