2-(5-methylthiophen-2-yl)-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one

C10H10F3NOS2 — CID 3822858

IUPAC2-(5-methylthiophen-2-yl)-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
SMILESCc1ccc(C2SCC(=O)N2CC(F)(F)F)s1
InChIInChI=1S/C10H10F3NOS2/c1-6-2-3-7(17-6)9-14(5-10(11,12)13)8(15)4-16-9/h2-3,9H,4-5H2,1H3
InChIKeyOFOPIIORGNCPAR-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.19
Rot. Bonds2

About 2-(5-methylthiophen-2-yl)-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one

2-(5-methylthiophen-2-yl)-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one (PubChem CID 3822858) has the molecular formula C10H10F3NOS2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
PubChem CID3822858
Molecular FormulaC10H10F3NOS2
Molecular Weight281.32 g/mol
Exact Mass281.02
IUPAC Name2-(5-methylthiophen-2-yl)-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
SMILESCc1ccc(C2SCC(=O)N2CC(F)(F)F)s1
InChIInChI=1S/C10H10F3NOS2/c1-6-2-3-7(17-6)9-14(5-10(11,12)13)8(15)4-16-9/h2-3,9H,4-5H2,1H3
InChIKeyOFOPIIORGNCPAR-UHFFFAOYSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(5-methylthiophen-2-yl)-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one (CID 3822858) is 2-(5-methylthiophen-2-yl)-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(5-methylthiophen-2-yl)-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one is Cc1ccc(C2SCC(=O)N2CC(F)(F)F)s1.
What is the InChIKey of 2-(5-methylthiophen-2-yl)-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one?
The InChIKey is OFOPIIORGNCPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NOS2/c1-6-2-3-7(17-6)9-14(5-10(11,12)13)8(15)4-16-9/h2-3,9H,4-5H2,1H3.
What are the key properties of 2-(5-methylthiophen-2-yl)-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one?
2-(5-methylthiophen-2-yl)-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one has a molecular weight of 281.32 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3822858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).