trifluoromethyl 3-(1,3-thiazol-5-yl)propanoate

C7H6F3NO2S — CID 174754472

IUPACtrifluoromethyl 3-(1,3-thiazol-5-yl)propanoate
SMILESO=C(CCc1cncs1)OC(F)(F)F
InChIInChI=1S/C7H6F3NO2S/c8-7(9,10)13-6(12)2-1-5-3-11-4-14-5/h3-4H,1-2H2
InChIKeyFRFJPCWOEZUOJY-UHFFFAOYSA-N
MW225.19 g/mol
LogP2.14
Rot. Bonds3

About trifluoromethyl 3-(1,3-thiazol-5-yl)propanoate

trifluoromethyl 3-(1,3-thiazol-5-yl)propanoate (PubChem CID 174754472) has the molecular formula C7H6F3NO2S and a molecular weight of 225.19 g/mol. Its IUPAC name is trifluoromethyl 3-(1,3-thiazol-5-yl)propanoate.

Molecular Properties

Compound Nametrifluoromethyl 3-(1,3-thiazol-5-yl)propanoate
PubChem CID174754472
Molecular FormulaC7H6F3NO2S
Molecular Weight225.19 g/mol
Exact Mass225.01
IUPAC Nametrifluoromethyl 3-(1,3-thiazol-5-yl)propanoate
SMILESO=C(CCc1cncs1)OC(F)(F)F
InChIInChI=1S/C7H6F3NO2S/c8-7(9,10)13-6(12)2-1-5-3-11-4-14-5/h3-4H,1-2H2
InChIKeyFRFJPCWOEZUOJY-UHFFFAOYSA-N
XLogP2.14
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trifluoromethyl 3-(1,3-thiazol-5-yl)propanoate?
The IUPAC name of trifluoromethyl 3-(1,3-thiazol-5-yl)propanoate (CID 174754472) is trifluoromethyl 3-(1,3-thiazol-5-yl)propanoate.
What is the SMILES notation for trifluoromethyl 3-(1,3-thiazol-5-yl)propanoate?
The canonical SMILES for trifluoromethyl 3-(1,3-thiazol-5-yl)propanoate is O=C(CCc1cncs1)OC(F)(F)F.
What is the InChIKey of trifluoromethyl 3-(1,3-thiazol-5-yl)propanoate?
The InChIKey is FRFJPCWOEZUOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2S/c8-7(9,10)13-6(12)2-1-5-3-11-4-14-5/h3-4H,1-2H2.
What are the key properties of trifluoromethyl 3-(1,3-thiazol-5-yl)propanoate?
trifluoromethyl 3-(1,3-thiazol-5-yl)propanoate has a molecular weight of 225.19 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethyl 3-(1,3-thiazol-5-yl)propanoate is sourced from PubChem (CID 174754472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).