[(3S)-2-oxooxolan-3-yl] 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetate

C16H12F3NO4S — CID 95568775

IUPAC[(3S)-2-oxooxolan-3-yl] 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetate
SMILESO=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)O[C@H]1CCOC1=O
InChIInChI=1S/C16H12F3NO4S/c17-16(18,19)10-3-1-9(2-4-10)14-20-11(8-25-14)7-13(21)24-12-5-6-23-15(12)22/h1-4,8,12H,5-7H2/t12-/m0/s1
InChIKeyYMYYSBDPWAYMMH-LBPRGKRZSA-N
MW371.34 g/mol
LogP3.23
Rot. Bonds4

About [(3S)-2-oxooxolan-3-yl] 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetate

[(3S)-2-oxooxolan-3-yl] 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetate (PubChem CID 95568775) has the molecular formula C16H12F3NO4S and a molecular weight of 371.34 g/mol. Its IUPAC name is [(3S)-2-oxooxolan-3-yl] 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name[(3S)-2-oxooxolan-3-yl] 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetate
PubChem CID95568775
Molecular FormulaC16H12F3NO4S
Molecular Weight371.34 g/mol
Exact Mass371.04
IUPAC Name[(3S)-2-oxooxolan-3-yl] 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetate
SMILESO=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)O[C@H]1CCOC1=O
InChIInChI=1S/C16H12F3NO4S/c17-16(18,19)10-3-1-9(2-4-10)14-20-11(8-25-14)7-13(21)24-12-5-6-23-15(12)22/h1-4,8,12H,5-7H2/t12-/m0/s1
InChIKeyYMYYSBDPWAYMMH-LBPRGKRZSA-N
XLogP3.23
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.34
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-2-oxooxolan-3-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8837869
1-morpholin-4-yl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
CID 18152175
N-cyclohexyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31700368
N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152275
N-methoxy-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 43054605
2-cyclopropyl-2-methyl-4-oxo-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]pentanoic acid
CID 162238967
N-cycloheptyl-N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 55514013
[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 55529352
1-(2,6-dimethylmorpholin-4-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
CID 46514456
N-propan-2-yl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152022
N-(2-methylcyclohexyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 46516478
1-[4-(2-aminoethyl)piperidin-1-yl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
CID 166241022

Frequently Asked Questions

What is the IUPAC name of [(3S)-2-oxooxolan-3-yl] 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of [(3S)-2-oxooxolan-3-yl] 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetate (CID 95568775) is [(3S)-2-oxooxolan-3-yl] 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for [(3S)-2-oxooxolan-3-yl] 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for [(3S)-2-oxooxolan-3-yl] 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetate is O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)O[C@H]1CCOC1=O.
What is the InChIKey of [(3S)-2-oxooxolan-3-yl] 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is YMYYSBDPWAYMMH-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H12F3NO4S/c17-16(18,19)10-3-1-9(2-4-10)14-20-11(8-25-14)7-13(21)24-12-5-6-23-15(12)22/h1-4,8,12H,5-7H2/t12-/m0/s1.
What are the key properties of [(3S)-2-oxooxolan-3-yl] 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetate?
[(3S)-2-oxooxolan-3-yl] 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 371.34 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-oxooxolan-3-yl] 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 95568775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).