[(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl] 1,3-thiazole-4-carboxylate

C10H10F3NO3S — CID 97245122

IUPAC[(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl] 1,3-thiazole-4-carboxylate
SMILESO=C(O[C@@H]([C@H]1CCCO1)C(F)(F)F)c1cscn1
InChIInChI=1S/C10H10F3NO3S/c11-10(12,13)8(7-2-1-3-16-7)17-9(15)6-4-18-5-14-6/h4-5,7-8H,1-3H2/t7-,8+/m1/s1
InChIKeyJLYSTYPRLWXCDD-SFYZADRCSA-N
MW281.25 g/mol
LogP2.41
Rot. Bonds3

About [(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl] 1,3-thiazole-4-carboxylate

[(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl] 1,3-thiazole-4-carboxylate (PubChem CID 97245122) has the molecular formula C10H10F3NO3S and a molecular weight of 281.25 g/mol. Its IUPAC name is [(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl] 1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name[(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl] 1,3-thiazole-4-carboxylate
PubChem CID97245122
Molecular FormulaC10H10F3NO3S
Molecular Weight281.25 g/mol
Exact Mass281.03
IUPAC Name[(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl] 1,3-thiazole-4-carboxylate
SMILESO=C(O[C@@H]([C@H]1CCCO1)C(F)(F)F)c1cscn1
InChIInChI=1S/C10H10F3NO3S/c11-10(12,13)8(7-2-1-3-16-7)17-9(15)6-4-18-5-14-6/h4-5,7-8H,1-3H2/t7-,8+/m1/s1
InChIKeyJLYSTYPRLWXCDD-SFYZADRCSA-N
XLogP2.41
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl] 1,3-thiazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl] 1,3-thiazole-4-carboxylate?
The IUPAC name of [(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl] 1,3-thiazole-4-carboxylate (CID 97245122) is [(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl] 1,3-thiazole-4-carboxylate.
What is the SMILES notation for [(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl] 1,3-thiazole-4-carboxylate?
The canonical SMILES for [(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl] 1,3-thiazole-4-carboxylate is O=C(O[C@@H]([C@H]1CCCO1)C(F)(F)F)c1cscn1.
What is the InChIKey of [(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl] 1,3-thiazole-4-carboxylate?
The InChIKey is JLYSTYPRLWXCDD-SFYZADRCSA-N. The full InChI is InChI=1S/C10H10F3NO3S/c11-10(12,13)8(7-2-1-3-16-7)17-9(15)6-4-18-5-14-6/h4-5,7-8H,1-3H2/t7-,8+/m1/s1.
What are the key properties of [(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl] 1,3-thiazole-4-carboxylate?
[(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl] 1,3-thiazole-4-carboxylate has a molecular weight of 281.25 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl] 1,3-thiazole-4-carboxylate is sourced from PubChem (CID 97245122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).