2-[[(1S)-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]imino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one

C15H14F4N2OS — CID 135989073

IUPAC2-[[(1S)-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]imino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one
SMILESCC1(C(F)(F)F)S/C(=N/[C@H]2CCCc3cccc(F)c32)NC1=O
InChIInChI=1S/C15H14F4N2OS/c1-14(15(17,18)19)12(22)21-13(23-14)20-10-7-3-5-8-4-2-6-9(16)11(8)10/h2,4,6,10H,3,5,7H2,1H3,(H,20,21,22)/t10-,14?/m0/s1
InChIKeyOFQWLUGLLKNCHJ-XLLULAGJSA-N
MW346.35 g/mol
LogP3.74
Rot. Bonds1

About 2-[[(1S)-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]imino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one

2-[[(1S)-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]imino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one (PubChem CID 135989073) has the molecular formula C15H14F4N2OS and a molecular weight of 346.35 g/mol. Its IUPAC name is 2-[[(1S)-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]imino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[[(1S)-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]imino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one
PubChem CID135989073
Molecular FormulaC15H14F4N2OS
Molecular Weight346.35 g/mol
Exact Mass346.08
IUPAC Name2-[[(1S)-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]imino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one
SMILESCC1(C(F)(F)F)S/C(=N/[C@H]2CCCc3cccc(F)c32)NC1=O
InChIInChI=1S/C15H14F4N2OS/c1-14(15(17,18)19)12(22)21-13(23-14)20-10-7-3-5-8-4-2-6-9(16)11(8)10/h2,4,6,10H,3,5,7H2,1H3,(H,20,21,22)/t10-,14?/m0/s1
InChIKeyOFQWLUGLLKNCHJ-XLLULAGJSA-N
XLogP3.74
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]imino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-[[(1S)-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]imino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one (CID 135989073) is 2-[[(1S)-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]imino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[[(1S)-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]imino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[[(1S)-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]imino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one is CC1(C(F)(F)F)S/C(=N/[C@H]2CCCc3cccc(F)c32)NC1=O.
What is the InChIKey of 2-[[(1S)-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]imino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one?
The InChIKey is OFQWLUGLLKNCHJ-XLLULAGJSA-N. The full InChI is InChI=1S/C15H14F4N2OS/c1-14(15(17,18)19)12(22)21-13(23-14)20-10-7-3-5-8-4-2-6-9(16)11(8)10/h2,4,6,10H,3,5,7H2,1H3,(H,20,21,22)/t10-,14?/m0/s1.
What are the key properties of 2-[[(1S)-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]imino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one?
2-[[(1S)-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]imino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one has a molecular weight of 346.35 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]imino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135989073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).