2,2,2-trifluoro-1-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanone

C8H10F3NOS2 — CID 102009177

IUPAC2,2,2-trifluoro-1-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanone
SMILESCC(C)[C@H]1CSC(=S)N1C(=O)C(F)(F)F
InChIInChI=1S/C8H10F3NOS2/c1-4(2)5-3-15-7(14)12(5)6(13)8(9,10)11/h4-5H,3H2,1-2H3/t5-/m1/s1
InChIKeyVIIZBSBWKBJDET-RXMQYKEDSA-N
MW257.30 g/mol
LogP2.43
Rot. Bonds1

About 2,2,2-trifluoro-1-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanone

2,2,2-trifluoro-1-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanone (PubChem CID 102009177) has the molecular formula C8H10F3NOS2 and a molecular weight of 257.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanone
PubChem CID102009177
Molecular FormulaC8H10F3NOS2
Molecular Weight257.30 g/mol
Exact Mass257.02
IUPAC Name2,2,2-trifluoro-1-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanone
SMILESCC(C)[C@H]1CSC(=S)N1C(=O)C(F)(F)F
InChIInChI=1S/C8H10F3NOS2/c1-4(2)5-3-15-7(14)12(5)6(13)8(9,10)11/h4-5H,3H2,1-2H3/t5-/m1/s1
InChIKeyVIIZBSBWKBJDET-RXMQYKEDSA-N
XLogP2.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanone (CID 102009177) is 2,2,2-trifluoro-1-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanone is CC(C)[C@H]1CSC(=S)N1C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanone?
The InChIKey is VIIZBSBWKBJDET-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H10F3NOS2/c1-4(2)5-3-15-7(14)12(5)6(13)8(9,10)11/h4-5H,3H2,1-2H3/t5-/m1/s1.
What are the key properties of 2,2,2-trifluoro-1-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanone?
2,2,2-trifluoro-1-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanone has a molecular weight of 257.30 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanone is sourced from PubChem (CID 102009177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).