2-cyclopentyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

C10H10F3NO2S — CID 82276865

IUPAC2-cyclopentyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(C2CCCC2)nc1C(F)(F)F
InChIInChI=1S/C10H10F3NO2S/c11-10(12,13)7-6(9(15)16)17-8(14-7)5-3-1-2-4-5/h5H,1-4H2,(H,15,16)
InChIKeyADGDIGYOIPWBGF-UHFFFAOYSA-N
MW265.26 g/mol
LogP3.52
Rot. Bonds2

About 2-cyclopentyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

2-cyclopentyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 82276865) has the molecular formula C10H10F3NO2S and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-cyclopentyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-cyclopentyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID82276865
Molecular FormulaC10H10F3NO2S
Molecular Weight265.26 g/mol
Exact Mass265.04
IUPAC Name2-cyclopentyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(C2CCCC2)nc1C(F)(F)F
InChIInChI=1S/C10H10F3NO2S/c11-10(12,13)7-6(9(15)16)17-8(14-7)5-3-1-2-4-5/h5H,1-4H2,(H,15,16)
InChIKeyADGDIGYOIPWBGF-UHFFFAOYSA-N
XLogP3.52
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-cyclopentyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (CID 82276865) is 2-cyclopentyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-cyclopentyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-cyclopentyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(C2CCCC2)nc1C(F)(F)F.
What is the InChIKey of 2-cyclopentyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is ADGDIGYOIPWBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2S/c11-10(12,13)7-6(9(15)16)17-8(14-7)5-3-1-2-4-5/h5H,1-4H2,(H,15,16).
What are the key properties of 2-cyclopentyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
2-cyclopentyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 265.26 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82276865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).