2-[3-(difluoromethyl)phenyl]-4-ethyl-1,3-thiazolidine

C12H15F2NS — CID 115528350

IUPAC2-[3-(difluoromethyl)phenyl]-4-ethyl-1,3-thiazolidine
SMILESCCC1CSC(c2cccc(C(F)F)c2)N1
InChIInChI=1S/C12H15F2NS/c1-2-10-7-16-12(15-10)9-5-3-4-8(6-9)11(13)14/h3-6,10-12,15H,2,7H2,1H3
InChIKeyYPOQFKVMMLHJAT-UHFFFAOYSA-N
MW243.32 g/mol
LogP3.74
Rot. Bonds3

About 2-[3-(difluoromethyl)phenyl]-4-ethyl-1,3-thiazolidine

2-[3-(difluoromethyl)phenyl]-4-ethyl-1,3-thiazolidine (PubChem CID 115528350) has the molecular formula C12H15F2NS and a molecular weight of 243.32 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)phenyl]-4-ethyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-[3-(difluoromethyl)phenyl]-4-ethyl-1,3-thiazolidine
PubChem CID115528350
Molecular FormulaC12H15F2NS
Molecular Weight243.32 g/mol
Exact Mass243.09
IUPAC Name2-[3-(difluoromethyl)phenyl]-4-ethyl-1,3-thiazolidine
SMILESCCC1CSC(c2cccc(C(F)F)c2)N1
InChIInChI=1S/C12H15F2NS/c1-2-10-7-16-12(15-10)9-5-3-4-8(6-9)11(13)14/h3-6,10-12,15H,2,7H2,1H3
InChIKeyYPOQFKVMMLHJAT-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)phenyl]-4-ethyl-1,3-thiazolidine?
The IUPAC name of 2-[3-(difluoromethyl)phenyl]-4-ethyl-1,3-thiazolidine (CID 115528350) is 2-[3-(difluoromethyl)phenyl]-4-ethyl-1,3-thiazolidine.
What is the SMILES notation for 2-[3-(difluoromethyl)phenyl]-4-ethyl-1,3-thiazolidine?
The canonical SMILES for 2-[3-(difluoromethyl)phenyl]-4-ethyl-1,3-thiazolidine is CCC1CSC(c2cccc(C(F)F)c2)N1.
What is the InChIKey of 2-[3-(difluoromethyl)phenyl]-4-ethyl-1,3-thiazolidine?
The InChIKey is YPOQFKVMMLHJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NS/c1-2-10-7-16-12(15-10)9-5-3-4-8(6-9)11(13)14/h3-6,10-12,15H,2,7H2,1H3.
What are the key properties of 2-[3-(difluoromethyl)phenyl]-4-ethyl-1,3-thiazolidine?
2-[3-(difluoromethyl)phenyl]-4-ethyl-1,3-thiazolidine has a molecular weight of 243.32 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)phenyl]-4-ethyl-1,3-thiazolidine is sourced from PubChem (CID 115528350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).