2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one

C15H19FN2OS — CID 135559069

IUPAC2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)C1(C)S/C(=N/[C@@H](C)c2ccccc2F)NC1=O
InChIInChI=1S/C15H19FN2OS/c1-9(2)15(4)13(19)18-14(20-15)17-10(3)11-7-5-6-8-12(11)16/h5-10H,1-4H3,(H,17,18,19)/t10-,15?/m0/s1
InChIKeyPKOUEAKRBUYDJE-MYHCZTBNSA-N
MW294.39 g/mol
LogP3.52
Rot. Bonds3

About 2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one

2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one (PubChem CID 135559069) has the molecular formula C15H19FN2OS and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
PubChem CID135559069
Molecular FormulaC15H19FN2OS
Molecular Weight294.39 g/mol
Exact Mass294.12
IUPAC Name2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)C1(C)S/C(=N/[C@@H](C)c2ccccc2F)NC1=O
InChIInChI=1S/C15H19FN2OS/c1-9(2)15(4)13(19)18-14(20-15)17-10(3)11-7-5-6-8-12(11)16/h5-10H,1-4H3,(H,17,18,19)/t10-,15?/m0/s1
InChIKeyPKOUEAKRBUYDJE-MYHCZTBNSA-N
XLogP3.52
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.52
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-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one (CID 135559069) is 2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one is CC(C)C1(C)S/C(=N/[C@@H](C)c2ccccc2F)NC1=O.
What is the InChIKey of 2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one?
The InChIKey is PKOUEAKRBUYDJE-MYHCZTBNSA-N. The full InChI is InChI=1S/C15H19FN2OS/c1-9(2)15(4)13(19)18-14(20-15)17-10(3)11-7-5-6-8-12(11)16/h5-10H,1-4H3,(H,17,18,19)/t10-,15?/m0/s1.
What are the key properties of 2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one?
2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one has a molecular weight of 294.39 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135559069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).