(5S)-2-(3-chloro-4-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one

C10H8ClFN2OS — CID 135765996

IUPAC(5S)-2-(3-chloro-4-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one
SMILESC[C@@H]1S/C(=N\c2ccc(F)c(Cl)c2)NC1=O
InChIInChI=1S/C10H8ClFN2OS/c1-5-9(15)14-10(16-5)13-6-2-3-8(12)7(11)4-6/h2-5H,1H3,(H,13,14,15)/t5-/m0/s1
InChIKeyIFIXEPTXFZUXBR-YFKPBYRVSA-N
MW258.71 g/mol
LogP2.72
Rot. Bonds1

About (5S)-2-(3-chloro-4-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one

(5S)-2-(3-chloro-4-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one (PubChem CID 135765996) has the molecular formula C10H8ClFN2OS and a molecular weight of 258.71 g/mol. Its IUPAC name is (5S)-2-(3-chloro-4-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5S)-2-(3-chloro-4-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one
PubChem CID135765996
Molecular FormulaC10H8ClFN2OS
Molecular Weight258.71 g/mol
Exact Mass258.00
IUPAC Name(5S)-2-(3-chloro-4-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one
SMILESC[C@@H]1S/C(=N\c2ccc(F)c(Cl)c2)NC1=O
InChIInChI=1S/C10H8ClFN2OS/c1-5-9(15)14-10(16-5)13-6-2-3-8(12)7(11)4-6/h2-5H,1H3,(H,13,14,15)/t5-/m0/s1
InChIKeyIFIXEPTXFZUXBR-YFKPBYRVSA-N
XLogP2.72
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 52.72
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 (5S)-2-(3-chloro-4-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of (5S)-2-(3-chloro-4-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one (CID 135765996) is (5S)-2-(3-chloro-4-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5S)-2-(3-chloro-4-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for (5S)-2-(3-chloro-4-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one is C[C@@H]1S/C(=N\c2ccc(F)c(Cl)c2)NC1=O.
What is the InChIKey of (5S)-2-(3-chloro-4-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is IFIXEPTXFZUXBR-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H8ClFN2OS/c1-5-9(15)14-10(16-5)13-6-2-3-8(12)7(11)4-6/h2-5H,1H3,(H,13,14,15)/t5-/m0/s1.
What are the key properties of (5S)-2-(3-chloro-4-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one?
(5S)-2-(3-chloro-4-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 258.71 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(3-chloro-4-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135765996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).