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

C11H12F5NS — CID 166657101

IUPAC3-(3,3-difluorocyclopentyl)-4-ethyl-5-(trifluoromethyl)-1,2-thiazole
SMILESCCc1c(C2CCC(F)(F)C2)nsc1C(F)(F)F
InChIInChI=1S/C11H12F5NS/c1-2-7-8(6-3-4-10(12,13)5-6)17-18-9(7)11(14,15)16/h6H,2-5H2,1H3
InChIKeyWCBWIJVZFOXQSX-UHFFFAOYSA-N
MW285.28 g/mol
LogP4.63
Rot. Bonds2

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

3-(3,3-difluorocyclopentyl)-4-ethyl-5-(trifluoromethyl)-1,2-thiazole (PubChem CID 166657101) has the molecular formula C11H12F5NS and a molecular weight of 285.28 g/mol. Its IUPAC name is 3-(3,3-difluorocyclopentyl)-4-ethyl-5-(trifluoromethyl)-1,2-thiazole.

Molecular Properties

Compound Name3-(3,3-difluorocyclopentyl)-4-ethyl-5-(trifluoromethyl)-1,2-thiazole
PubChem CID166657101
Molecular FormulaC11H12F5NS
Molecular Weight285.28 g/mol
Exact Mass285.06
IUPAC Name3-(3,3-difluorocyclopentyl)-4-ethyl-5-(trifluoromethyl)-1,2-thiazole
SMILESCCc1c(C2CCC(F)(F)C2)nsc1C(F)(F)F
InChIInChI=1S/C11H12F5NS/c1-2-7-8(6-3-4-10(12,13)5-6)17-18-9(7)11(14,15)16/h6H,2-5H2,1H3
InChIKeyWCBWIJVZFOXQSX-UHFFFAOYSA-N
XLogP4.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Fluoro-3-methyl-5-(5-methylundecan-5-yl)-1,2-thiazole
CID 146376938
3,4-Dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole
CID 155406469
3-Cyclopentyl-4-ethyl-5-(trifluoromethyl)-1,2-thiazole
CID 166657116
5-Tert-butyl-4-[3-[3-[2-(2,2-difluorocyclopropyl)-2-methylpropyl]-3,5-dimethylpyrazol-4-yl]-3-methylbutyl]-3-methyl-1,2-thiazole
CID 174193101
Methyl [3-cyclopentyl-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanesulfonate
CID 174994169
3-Cyclopentyl-5-(difluoromethyl)-1,2-thiazole
CID 175213222
3,5-Ditert-butyl-4-(trifluoromethyl)-1,2-thiazole
CID 178550845
5-Propan-2-yl-4-(2,2,2-trifluoroethyl)-1,2-thiazole-3-carbonitrile
CID 178571714
3-Methyl-5-propan-2-yl-4-(2,2,2-trifluoroethyl)-1,2-thiazole
CID 178571715
5-Tert-butyl-3-ethyl-4-methyl-1,2-thiazole
CID 57619164
3,4-Dimethyl-5-propan-2-yl-1,2-thiazole
CID 58374069
3-Propan-2-yl-4,5,6,7-tetrahydro-1,2-benzothiazole
CID 58783706

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluorocyclopentyl)-4-ethyl-5-(trifluoromethyl)-1,2-thiazole?
The IUPAC name of 3-(3,3-difluorocyclopentyl)-4-ethyl-5-(trifluoromethyl)-1,2-thiazole (CID 166657101) is 3-(3,3-difluorocyclopentyl)-4-ethyl-5-(trifluoromethyl)-1,2-thiazole.
What is the SMILES notation for 3-(3,3-difluorocyclopentyl)-4-ethyl-5-(trifluoromethyl)-1,2-thiazole?
The canonical SMILES for 3-(3,3-difluorocyclopentyl)-4-ethyl-5-(trifluoromethyl)-1,2-thiazole is CCc1c(C2CCC(F)(F)C2)nsc1C(F)(F)F.
What is the InChIKey of 3-(3,3-difluorocyclopentyl)-4-ethyl-5-(trifluoromethyl)-1,2-thiazole?
The InChIKey is WCBWIJVZFOXQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F5NS/c1-2-7-8(6-3-4-10(12,13)5-6)17-18-9(7)11(14,15)16/h6H,2-5H2,1H3.
What are the key properties of 3-(3,3-difluorocyclopentyl)-4-ethyl-5-(trifluoromethyl)-1,2-thiazole?
3-(3,3-difluorocyclopentyl)-4-ethyl-5-(trifluoromethyl)-1,2-thiazole has a molecular weight of 285.28 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluorocyclopentyl)-4-ethyl-5-(trifluoromethyl)-1,2-thiazole is sourced from PubChem (CID 166657101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).