2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazolidine

C10H11ClFNS — CID 114488647

IUPAC2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazolidine
SMILESCC1CNC(c2cccc(Cl)c2F)S1
InChIInChI=1S/C10H11ClFNS/c1-6-5-13-10(14-6)7-3-2-4-8(11)9(7)12/h2-4,6,10,13H,5H2,1H3
InChIKeyOODFSTDVMKZBCH-UHFFFAOYSA-N
MW231.72 g/mol
LogP3.20
Rot. Bonds1

About 2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazolidine

2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazolidine (PubChem CID 114488647) has the molecular formula C10H11ClFNS and a molecular weight of 231.72 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazolidine
PubChem CID114488647
Molecular FormulaC10H11ClFNS
Molecular Weight231.72 g/mol
Exact Mass231.03
IUPAC Name2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazolidine
SMILESCC1CNC(c2cccc(Cl)c2F)S1
InChIInChI=1S/C10H11ClFNS/c1-6-5-13-10(14-6)7-3-2-4-8(11)9(7)12/h2-4,6,10,13H,5H2,1H3
InChIKeyOODFSTDVMKZBCH-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.72
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazolidine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazolidine (CID 114488647) is 2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazolidine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazolidine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazolidine is CC1CNC(c2cccc(Cl)c2F)S1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazolidine?
The InChIKey is OODFSTDVMKZBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNS/c1-6-5-13-10(14-6)7-3-2-4-8(11)9(7)12/h2-4,6,10,13H,5H2,1H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazolidine?
2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazolidine has a molecular weight of 231.72 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazolidine is sourced from PubChem (CID 114488647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).