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

C6H9F3N2OS — CID 89359150

IUPAC2,2,2-trifluoro-N-[(2S,5R)-2-methyl-1,3-thiazolidin-5-yl]acetamide
SMILESC[C@H]1NC[C@H](NC(=O)C(F)(F)F)S1
InChIInChI=1S/C6H9F3N2OS/c1-3-10-2-4(13-3)11-5(12)6(7,8)9/h3-4,10H,2H2,1H3,(H,11,12)/t3-,4+/m0/s1
InChIKeyISSPSMJRYYPPNY-IUYQGCFVSA-N
MW214.21 g/mol
LogP0.67
Rot. Bonds1

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

2,2,2-trifluoro-N-[(2S,5R)-2-methyl-1,3-thiazolidin-5-yl]acetamide (PubChem CID 89359150) has the molecular formula C6H9F3N2OS and a molecular weight of 214.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2S,5R)-2-methyl-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2S,5R)-2-methyl-1,3-thiazolidin-5-yl]acetamide
PubChem CID89359150
Molecular FormulaC6H9F3N2OS
Molecular Weight214.21 g/mol
Exact Mass214.04
IUPAC Name2,2,2-trifluoro-N-[(2S,5R)-2-methyl-1,3-thiazolidin-5-yl]acetamide
SMILESC[C@H]1NC[C@H](NC(=O)C(F)(F)F)S1
InChIInChI=1S/C6H9F3N2OS/c1-3-10-2-4(13-3)11-5(12)6(7,8)9/h3-4,10H,2H2,1H3,(H,11,12)/t3-,4+/m0/s1
InChIKeyISSPSMJRYYPPNY-IUYQGCFVSA-N
XLogP0.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 50.67
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-[(2S,5R)-2-methyl-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(2S,5R)-2-methyl-1,3-thiazolidin-5-yl]acetamide (CID 89359150) is 2,2,2-trifluoro-N-[(2S,5R)-2-methyl-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2S,5R)-2-methyl-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(2S,5R)-2-methyl-1,3-thiazolidin-5-yl]acetamide is C[C@H]1NC[C@H](NC(=O)C(F)(F)F)S1.
What is the InChIKey of 2,2,2-trifluoro-N-[(2S,5R)-2-methyl-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is ISSPSMJRYYPPNY-IUYQGCFVSA-N. The full InChI is InChI=1S/C6H9F3N2OS/c1-3-10-2-4(13-3)11-5(12)6(7,8)9/h3-4,10H,2H2,1H3,(H,11,12)/t3-,4+/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(2S,5R)-2-methyl-1,3-thiazolidin-5-yl]acetamide?
2,2,2-trifluoro-N-[(2S,5R)-2-methyl-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 214.21 g/mol, XLogP of 0.67, 1 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-[(2S,5R)-2-methyl-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 89359150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).