5-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid

C10H6F3NO2S2 — CID 63355599

IUPAC5-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(-c2csc(CC(F)(F)F)n2)c1
InChIInChI=1S/C10H6F3NO2S2/c11-10(12,13)2-8-14-6(4-18-8)7-1-5(3-17-7)9(15)16/h1,3-4H,2H2,(H,15,16)
InChIKeyBLGNONKQSHXZRY-UHFFFAOYSA-N
MW293.29 g/mol
LogP3.67
Rot. Bonds3

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

5-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid (PubChem CID 63355599) has the molecular formula C10H6F3NO2S2 and a molecular weight of 293.29 g/mol. Its IUPAC name is 5-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
PubChem CID63355599
Molecular FormulaC10H6F3NO2S2
Molecular Weight293.29 g/mol
Exact Mass292.98
IUPAC Name5-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(-c2csc(CC(F)(F)F)n2)c1
InChIInChI=1S/C10H6F3NO2S2/c11-10(12,13)2-8-14-6(4-18-8)7-1-5(3-17-7)9(15)16/h1,3-4H,2H2,(H,15,16)
InChIKeyBLGNONKQSHXZRY-UHFFFAOYSA-N
XLogP3.67
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 113361992
5-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 116744515
1-[5-[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]thiophen-3-yl]ethanone
CID 75421868
5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 63355771
5-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 114016544
5-[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 116705248
5-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 107124569
1,1,1-trifluoro-3-[4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]propan-2-one
CID 159754187
5-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 114884542
5-[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 63549537
5-pyridin-2-ylthiophene-3-carboxylic acid
CID 79684127
5-[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 82732281

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid (CID 63355599) is 5-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid is O=C(O)c1csc(-c2csc(CC(F)(F)F)n2)c1.
What is the InChIKey of 5-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid?
The InChIKey is BLGNONKQSHXZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO2S2/c11-10(12,13)2-8-14-6(4-18-8)7-1-5(3-17-7)9(15)16/h1,3-4H,2H2,(H,15,16).
What are the key properties of 5-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid?
5-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid has a molecular weight of 293.29 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid is sourced from PubChem (CID 63355599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).