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

C9H8F3NOS2 — CID 3819256

IUPAC2-thiophen-2-yl-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccs2)N1CC(F)(F)F
InChIInChI=1S/C9H8F3NOS2/c10-9(11,12)5-13-7(14)4-16-8(13)6-2-1-3-15-6/h1-3,8H,4-5H2
InChIKeyFZWAUIXZSYONKR-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.88
Rot. Bonds2

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

2-thiophen-2-yl-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one (PubChem CID 3819256) has the molecular formula C9H8F3NOS2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-thiophen-2-yl-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-thiophen-2-yl-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
PubChem CID3819256
Molecular FormulaC9H8F3NOS2
Molecular Weight267.30 g/mol
Exact Mass267.00
IUPAC Name2-thiophen-2-yl-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccs2)N1CC(F)(F)F
InChIInChI=1S/C9H8F3NOS2/c10-9(11,12)5-13-7(14)4-16-8(13)6-2-1-3-15-6/h1-3,8H,4-5H2
InChIKeyFZWAUIXZSYONKR-UHFFFAOYSA-N
XLogP2.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Sulfanylidene-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one
CID 233540
Cyto9G3
CID 2732031
(E)-1-pyrrolidin-1-yl-3-thiophen-2-ylprop-2-en-1-one
CID 2311880
1-(Thiophene-2-carbonyl)pyrrolidine
CID 825289
1-{[(Thien-2-ylmethyl)thio]acetyl}pyrrolidine
CID 3240804
(2R)-2-(5-bromothiophen-2-yl)-3-(2-methylsulfanylethyl)-1,3-thiazolidin-4-one
CID 44589356
2-(2,6-Difluorophenyl)-3-(2-thienylmethyl)thiazolidin-4-one
CID 25058680
2-(2,6-Difluorophenyl)-3-[(5-methyl-2-thienyl)methyl]thiazolidin-4-one
CID 25058769
3-(2-Thienylcarbonyl)-1,3-thiazolidine-2-thione
CID 4750170
2-(2-thienyl)-1,3-bis(trifluoroacetyl)-2,3-dihydro-1H-imidazole
CID 827456
2-amino-N,N-bis(thiophen-2-ylmethyl)acetamide
CID 54869292
(5E)-3-allyl-5-(2-thienylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 1886131

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-thiophen-2-yl-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one (CID 3819256) is 2-thiophen-2-yl-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-thiophen-2-yl-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-thiophen-2-yl-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one is O=C1CSC(c2cccs2)N1CC(F)(F)F.
What is the InChIKey of 2-thiophen-2-yl-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one?
The InChIKey is FZWAUIXZSYONKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NOS2/c10-9(11,12)5-13-7(14)4-16-8(13)6-2-1-3-15-6/h1-3,8H,4-5H2.
What are the key properties of 2-thiophen-2-yl-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one?
2-thiophen-2-yl-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one has a molecular weight of 267.30 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3819256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).