3-(1-propan-2-ylimidazol-4-yl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine

C10H14F3N3O2S2 — CID 126833451

IUPAC3-(1-propan-2-ylimidazol-4-yl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine
SMILESCC(C)n1cnc(S(=O)(=O)N2CCSC2C(F)(F)F)c1
InChIInChI=1S/C10H14F3N3O2S2/c1-7(2)15-5-8(14-6-15)20(17,18)16-3-4-19-9(16)10(11,12)13/h5-7,9H,3-4H2,1-2H3
InChIKeyOQEQVOSASYIUOG-UHFFFAOYSA-N
MW329.37 g/mol
LogP2.09
Rot. Bonds3

About 3-(1-propan-2-ylimidazol-4-yl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine

3-(1-propan-2-ylimidazol-4-yl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine (PubChem CID 126833451) has the molecular formula C10H14F3N3O2S2 and a molecular weight of 329.37 g/mol. Its IUPAC name is 3-(1-propan-2-ylimidazol-4-yl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(1-propan-2-ylimidazol-4-yl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine
PubChem CID126833451
Molecular FormulaC10H14F3N3O2S2
Molecular Weight329.37 g/mol
Exact Mass329.05
IUPAC Name3-(1-propan-2-ylimidazol-4-yl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine
SMILESCC(C)n1cnc(S(=O)(=O)N2CCSC2C(F)(F)F)c1
InChIInChI=1S/C10H14F3N3O2S2/c1-7(2)15-5-8(14-6-15)20(17,18)16-3-4-19-9(16)10(11,12)13/h5-7,9H,3-4H2,1-2H3
InChIKeyOQEQVOSASYIUOG-UHFFFAOYSA-N
XLogP2.09
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-ylimidazol-4-yl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine?
The IUPAC name of 3-(1-propan-2-ylimidazol-4-yl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine (CID 126833451) is 3-(1-propan-2-ylimidazol-4-yl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine.
What is the SMILES notation for 3-(1-propan-2-ylimidazol-4-yl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine?
The canonical SMILES for 3-(1-propan-2-ylimidazol-4-yl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine is CC(C)n1cnc(S(=O)(=O)N2CCSC2C(F)(F)F)c1.
What is the InChIKey of 3-(1-propan-2-ylimidazol-4-yl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine?
The InChIKey is OQEQVOSASYIUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S2/c1-7(2)15-5-8(14-6-15)20(17,18)16-3-4-19-9(16)10(11,12)13/h5-7,9H,3-4H2,1-2H3.
What are the key properties of 3-(1-propan-2-ylimidazol-4-yl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine?
3-(1-propan-2-ylimidazol-4-yl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine has a molecular weight of 329.37 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propan-2-ylimidazol-4-yl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine is sourced from PubChem (CID 126833451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).