2,2,2-trifluoro-N-[[(5S)-1,3-thiazolidin-5-yl]methyl]acetamide

C6H9F3N2OS — CID 58880433

IUPAC2,2,2-trifluoro-N-[[(5S)-1,3-thiazolidin-5-yl]methyl]acetamide
SMILESO=C(NC[C@H]1CNCS1)C(F)(F)F
InChIInChI=1S/C6H9F3N2OS/c7-6(8,9)5(12)11-2-4-1-10-3-13-4/h4,10H,1-3H2,(H,11,12)/t4-/m1/s1
InChIKeyGBTMCOBIZPFBAK-SCSAIBSYSA-N
MW214.21 g/mol
LogP0.33
Rot. Bonds2

About 2,2,2-trifluoro-N-[[(5S)-1,3-thiazolidin-5-yl]methyl]acetamide

2,2,2-trifluoro-N-[[(5S)-1,3-thiazolidin-5-yl]methyl]acetamide (PubChem CID 58880433) has the molecular formula C6H9F3N2OS and a molecular weight of 214.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[(5S)-1,3-thiazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[(5S)-1,3-thiazolidin-5-yl]methyl]acetamide
PubChem CID58880433
Molecular FormulaC6H9F3N2OS
Molecular Weight214.21 g/mol
Exact Mass214.04
IUPAC Name2,2,2-trifluoro-N-[[(5S)-1,3-thiazolidin-5-yl]methyl]acetamide
SMILESO=C(NC[C@H]1CNCS1)C(F)(F)F
InChIInChI=1S/C6H9F3N2OS/c7-6(8,9)5(12)11-2-4-1-10-3-13-4/h4,10H,1-3H2,(H,11,12)/t4-/m1/s1
InChIKeyGBTMCOBIZPFBAK-SCSAIBSYSA-N
XLogP0.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[(5S)-1,3-thiazolidin-5-yl]methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[[(5S)-1,3-thiazolidin-5-yl]methyl]acetamide (CID 58880433) is 2,2,2-trifluoro-N-[[(5S)-1,3-thiazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[[(5S)-1,3-thiazolidin-5-yl]methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[[(5S)-1,3-thiazolidin-5-yl]methyl]acetamide is O=C(NC[C@H]1CNCS1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[[(5S)-1,3-thiazolidin-5-yl]methyl]acetamide?
The InChIKey is GBTMCOBIZPFBAK-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H9F3N2OS/c7-6(8,9)5(12)11-2-4-1-10-3-13-4/h4,10H,1-3H2,(H,11,12)/t4-/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[[(5S)-1,3-thiazolidin-5-yl]methyl]acetamide?
2,2,2-trifluoro-N-[[(5S)-1,3-thiazolidin-5-yl]methyl]acetamide has a molecular weight of 214.21 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[(5S)-1,3-thiazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 58880433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).