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

C10H8ClFN2OS — CID 135523634

IUPAC2-(3-chloro-4-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one
SMILESCC1S/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)
InChIKeyIFIXEPTXFZUXBR-UHFFFAOYSA-N
MW258.71 g/mol
LogP2.72
Rot. Bonds1

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

2-(3-chloro-4-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one (PubChem CID 135523634) has the molecular formula C10H8ClFN2OS and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one
PubChem CID135523634
Molecular FormulaC10H8ClFN2OS
Molecular Weight258.71 g/mol
Exact Mass258.00
IUPAC Name2-(3-chloro-4-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one
SMILESCC1S/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)
InChIKeyIFIXEPTXFZUXBR-UHFFFAOYSA-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 2-(3-chloro-4-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one (CID 135523634) is 2-(3-chloro-4-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one is CC1S/C(=N\c2ccc(F)c(Cl)c2)NC1=O.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is IFIXEPTXFZUXBR-UHFFFAOYSA-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).
What are the key properties of 2-(3-chloro-4-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one?
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 2-(3-chloro-4-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135523634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).