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

C12H10F3NO3S2 — CID 103473367

IUPAC2-[5-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(-c2csc(COCC(F)(F)F)n2)s1
InChIInChI=1S/C12H10F3NO3S2/c13-12(14,15)6-19-4-10-16-8(5-20-10)9-2-1-7(21-9)3-11(17)18/h1-2,5H,3-4,6H2,(H,17,18)
InChIKeyQZAZNMKNZWNJPS-UHFFFAOYSA-N
MW337.34 g/mol
LogP3.58
Rot. Bonds6

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

2-[5-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid (PubChem CID 103473367) has the molecular formula C12H10F3NO3S2 and a molecular weight of 337.34 g/mol. Its IUPAC name is 2-[5-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid
PubChem CID103473367
Molecular FormulaC12H10F3NO3S2
Molecular Weight337.34 g/mol
Exact Mass337.01
IUPAC Name2-[5-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(-c2csc(COCC(F)(F)F)n2)s1
InChIInChI=1S/C12H10F3NO3S2/c13-12(14,15)6-19-4-10-16-8(5-20-10)9-2-1-7(21-9)3-11(17)18/h1-2,5H,3-4,6H2,(H,17,18)
InChIKeyQZAZNMKNZWNJPS-UHFFFAOYSA-N
XLogP3.58
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid (CID 103473367) is 2-[5-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid is O=C(O)Cc1ccc(-c2csc(COCC(F)(F)F)n2)s1.
What is the InChIKey of 2-[5-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid?
The InChIKey is QZAZNMKNZWNJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO3S2/c13-12(14,15)6-19-4-10-16-8(5-20-10)9-2-1-7(21-9)3-11(17)18/h1-2,5H,3-4,6H2,(H,17,18).
What are the key properties of 2-[5-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid?
2-[5-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid has a molecular weight of 337.34 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 103473367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).