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

C11H14F3NS — CID 166657116

IUPAC3-cyclopentyl-4-ethyl-5-(trifluoromethyl)-1,2-thiazole
SMILESCCc1c(C2CCCC2)nsc1C(F)(F)F
InChIInChI=1S/C11H14F3NS/c1-2-8-9(7-5-3-4-6-7)15-16-10(8)11(12,13)14/h7H,2-6H2,1H3
InChIKeyABQPOBSOINBUJU-UHFFFAOYSA-N
MW249.30 g/mol
LogP4.38
Rot. Bonds2

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

3-cyclopentyl-4-ethyl-5-(trifluoromethyl)-1,2-thiazole (PubChem CID 166657116) has the molecular formula C11H14F3NS and a molecular weight of 249.30 g/mol. Its IUPAC name is 3-cyclopentyl-4-ethyl-5-(trifluoromethyl)-1,2-thiazole.

Molecular Properties

Compound Name3-cyclopentyl-4-ethyl-5-(trifluoromethyl)-1,2-thiazole
PubChem CID166657116
Molecular FormulaC11H14F3NS
Molecular Weight249.30 g/mol
Exact Mass249.08
IUPAC Name3-cyclopentyl-4-ethyl-5-(trifluoromethyl)-1,2-thiazole
SMILESCCc1c(C2CCCC2)nsc1C(F)(F)F
InChIInChI=1S/C11H14F3NS/c1-2-8-9(7-5-3-4-6-7)15-16-10(8)11(12,13)14/h7H,2-6H2,1H3
InChIKeyABQPOBSOINBUJU-UHFFFAOYSA-N
XLogP4.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-4-ethyl-5-(trifluoromethyl)-1,2-thiazole?
The IUPAC name of 3-cyclopentyl-4-ethyl-5-(trifluoromethyl)-1,2-thiazole (CID 166657116) is 3-cyclopentyl-4-ethyl-5-(trifluoromethyl)-1,2-thiazole.
What is the SMILES notation for 3-cyclopentyl-4-ethyl-5-(trifluoromethyl)-1,2-thiazole?
The canonical SMILES for 3-cyclopentyl-4-ethyl-5-(trifluoromethyl)-1,2-thiazole is CCc1c(C2CCCC2)nsc1C(F)(F)F.
What is the InChIKey of 3-cyclopentyl-4-ethyl-5-(trifluoromethyl)-1,2-thiazole?
The InChIKey is ABQPOBSOINBUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NS/c1-2-8-9(7-5-3-4-6-7)15-16-10(8)11(12,13)14/h7H,2-6H2,1H3.
What are the key properties of 3-cyclopentyl-4-ethyl-5-(trifluoromethyl)-1,2-thiazole?
3-cyclopentyl-4-ethyl-5-(trifluoromethyl)-1,2-thiazole has a molecular weight of 249.30 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-4-ethyl-5-(trifluoromethyl)-1,2-thiazole is sourced from PubChem (CID 166657116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).