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

C10H10F3NO2S — CID 115049338

IUPAC4-cyclopentyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(C(F)(F)F)nc1C1CCCC1
InChIInChI=1S/C10H10F3NO2S/c11-10(12,13)9-14-6(5-3-1-2-4-5)7(17-9)8(15)16/h5H,1-4H2,(H,15,16)
InChIKeyZHVAYODZRIBALZ-UHFFFAOYSA-N
MW265.26 g/mol
LogP3.52
Rot. Bonds2

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

4-cyclopentyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 115049338) has the molecular formula C10H10F3NO2S and a molecular weight of 265.26 g/mol. Its IUPAC name is 4-cyclopentyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopentyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID115049338
Molecular FormulaC10H10F3NO2S
Molecular Weight265.26 g/mol
Exact Mass265.04
IUPAC Name4-cyclopentyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(C(F)(F)F)nc1C1CCCC1
InChIInChI=1S/C10H10F3NO2S/c11-10(12,13)9-14-6(5-3-1-2-4-5)7(17-9)8(15)16/h5H,1-4H2,(H,15,16)
InChIKeyZHVAYODZRIBALZ-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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Related Compounds

2-Methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 70368097
2-Methyl-4-propyl-5-thiazolecarboxylic acid
CID 14653141
4-Cyclopentyl-1,3-thiazole-5-carboxylic acid
CID 75449177
4-Butyl-2-fluoro-1,3-thiazole-5-carboxylic acid
CID 19885482
2-Fluoro-4-propyl-1,3-thiazole-5-carboxylic acid
CID 19885576
4-[[6-Fluoro-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-2-methyl-1,3-thiazole-5-carboxylic acid
CID 70919711
4-[[3,5-Bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-2-methyl-1,3-thiazole-5-carboxylic acid
CID 89101256
2-Cyclopentyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 82276865
4-Propan-2-yl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 83959764
2-[2-(2,2-Difluoroethoxy)ethyl]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 103146573
4-Cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazole-5-carboxylic acid
CID 103146577
4-(2-Methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-carboxylic acid
CID 103146578

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-cyclopentyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (CID 115049338) is 4-cyclopentyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclopentyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-cyclopentyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(C(F)(F)F)nc1C1CCCC1.
What is the InChIKey of 4-cyclopentyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is ZHVAYODZRIBALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2S/c11-10(12,13)9-14-6(5-3-1-2-4-5)7(17-9)8(15)16/h5H,1-4H2,(H,15,16).
What are the key properties of 4-cyclopentyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
4-cyclopentyl-2-(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 4-cyclopentyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 115049338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).