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

C15H18F2N2OS — CID 135513273

IUPAC2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-(2-fluoropropan-2-yl)-5-methyl-1,3-thiazolidin-4-one
SMILESC[C@H](/N=C1\NC(=O)C(C)(C(C)(C)F)S1)c1ccccc1F
InChIInChI=1S/C15H18F2N2OS/c1-9(10-7-5-6-8-11(10)16)18-13-19-12(20)15(4,21-13)14(2,3)17/h5-9H,1-4H3,(H,18,19,20)/t9-,15?/m0/s1
InChIKeyUNJGDEQMIBHKEY-HJULIUOESA-N
MW312.38 g/mol
LogP3.61
Rot. Bonds3

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

2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-(2-fluoropropan-2-yl)-5-methyl-1,3-thiazolidin-4-one (PubChem CID 135513273) has the molecular formula C15H18F2N2OS and a molecular weight of 312.38 g/mol. Its IUPAC name is 2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-(2-fluoropropan-2-yl)-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-(2-fluoropropan-2-yl)-5-methyl-1,3-thiazolidin-4-one
PubChem CID135513273
Molecular FormulaC15H18F2N2OS
Molecular Weight312.38 g/mol
Exact Mass312.11
IUPAC Name2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-(2-fluoropropan-2-yl)-5-methyl-1,3-thiazolidin-4-one
SMILESC[C@H](/N=C1\NC(=O)C(C)(C(C)(C)F)S1)c1ccccc1F
InChIInChI=1S/C15H18F2N2OS/c1-9(10-7-5-6-8-11(10)16)18-13-19-12(20)15(4,21-13)14(2,3)17/h5-9H,1-4H3,(H,18,19,20)/t9-,15?/m0/s1
InChIKeyUNJGDEQMIBHKEY-HJULIUOESA-N
XLogP3.61
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 53.61
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-(2-fluoropropan-2-yl)-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-(2-fluoropropan-2-yl)-5-methyl-1,3-thiazolidin-4-one (CID 135513273) is 2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-(2-fluoropropan-2-yl)-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-(2-fluoropropan-2-yl)-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-(2-fluoropropan-2-yl)-5-methyl-1,3-thiazolidin-4-one is C[C@H](/N=C1\NC(=O)C(C)(C(C)(C)F)S1)c1ccccc1F.
What is the InChIKey of 2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-(2-fluoropropan-2-yl)-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is UNJGDEQMIBHKEY-HJULIUOESA-N. The full InChI is InChI=1S/C15H18F2N2OS/c1-9(10-7-5-6-8-11(10)16)18-13-19-12(20)15(4,21-13)14(2,3)17/h5-9H,1-4H3,(H,18,19,20)/t9-,15?/m0/s1.
What are the key properties of 2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-(2-fluoropropan-2-yl)-5-methyl-1,3-thiazolidin-4-one?
2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-(2-fluoropropan-2-yl)-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 312.38 g/mol, XLogP of 3.61, 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-(2-fluoropropan-2-yl)-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135513273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).