2-[5-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid

C11H8F3NO2S2 — CID 63356037

IUPAC2-[5-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(-c2csc(CC(F)(F)F)n2)s1
InChIInChI=1S/C11H8F3NO2S2/c12-11(13,14)4-9-15-7(5-18-9)8-2-1-6(19-8)3-10(16)17/h1-2,5H,3-4H2,(H,16,17)
InChIKeyVJKYTCDNQIPPGY-UHFFFAOYSA-N
MW307.32 g/mol
LogP3.60
Rot. Bonds4

About 2-[5-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid

2-[5-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid (PubChem CID 63356037) has the molecular formula C11H8F3NO2S2 and a molecular weight of 307.32 g/mol. Its IUPAC name is 2-[5-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid
PubChem CID63356037
Molecular FormulaC11H8F3NO2S2
Molecular Weight307.32 g/mol
Exact Mass306.99
IUPAC Name2-[5-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(-c2csc(CC(F)(F)F)n2)s1
InChIInChI=1S/C11H8F3NO2S2/c12-11(13,14)4-9-15-7(5-18-9)8-2-1-6(19-8)3-10(16)17/h1-2,5H,3-4H2,(H,16,17)
InChIKeyVJKYTCDNQIPPGY-UHFFFAOYSA-N
XLogP3.60
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid (CID 63356037) is 2-[5-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid is O=C(O)Cc1ccc(-c2csc(CC(F)(F)F)n2)s1.
What is the InChIKey of 2-[5-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid?
The InChIKey is VJKYTCDNQIPPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO2S2/c12-11(13,14)4-9-15-7(5-18-9)8-2-1-6(19-8)3-10(16)17/h1-2,5H,3-4H2,(H,16,17).
What are the key properties of 2-[5-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid?
2-[5-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid has a molecular weight of 307.32 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 63356037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).