5-(2-bromocyclopentyl)-2-(trifluoromethyl)-1,3-thiazole

C9H9BrF3NS — CID 106784064

IUPAC5-(2-bromocyclopentyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1ncc(C2CCCC2Br)s1
InChIInChI=1S/C9H9BrF3NS/c10-6-3-1-2-5(6)7-4-14-8(15-7)9(11,12)13/h4-6H,1-3H2
InChIKeyZMODTSPYIIBYFW-UHFFFAOYSA-N
MW300.14 g/mol
LogP4.19
Rot. Bonds1

About 5-(2-bromocyclopentyl)-2-(trifluoromethyl)-1,3-thiazole

5-(2-bromocyclopentyl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 106784064) has the molecular formula C9H9BrF3NS and a molecular weight of 300.14 g/mol. Its IUPAC name is 5-(2-bromocyclopentyl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(2-bromocyclopentyl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID106784064
Molecular FormulaC9H9BrF3NS
Molecular Weight300.14 g/mol
Exact Mass298.96
IUPAC Name5-(2-bromocyclopentyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1ncc(C2CCCC2Br)s1
InChIInChI=1S/C9H9BrF3NS/c10-6-3-1-2-5(6)7-4-14-8(15-7)9(11,12)13/h4-6H,1-3H2
InChIKeyZMODTSPYIIBYFW-UHFFFAOYSA-N
XLogP4.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(2-Methylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 68055880
5-(2-Methylpropyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 137444283
5-Butan-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 144868136
5-Nonan-3-yl-2-(trifluoromethyl)-1,3-thiazole
CID 146558774
5-[(1S,2R)-2-propan-2-ylcyclopropyl]-2-(trifluoromethyl)-1,3-thiazole
CID 166826846
5-Octan-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 167185113
5-(1,1-Difluoro-2-methylbutyl)-2-methyl-1,3-thiazole
CID 170423974
5-(2-Chlorocyclopentyl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784060
5-(2-Bromocyclohexyl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784063
5-(2-Bromocycloheptyl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784065
5-(3-Bromobutan-2-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784067
3-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-amine
CID 106784137

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromocyclopentyl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-(2-bromocyclopentyl)-2-(trifluoromethyl)-1,3-thiazole (CID 106784064) is 5-(2-bromocyclopentyl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-(2-bromocyclopentyl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-(2-bromocyclopentyl)-2-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1ncc(C2CCCC2Br)s1.
What is the InChIKey of 5-(2-bromocyclopentyl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is ZMODTSPYIIBYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3NS/c10-6-3-1-2-5(6)7-4-14-8(15-7)9(11,12)13/h4-6H,1-3H2.
What are the key properties of 5-(2-bromocyclopentyl)-2-(trifluoromethyl)-1,3-thiazole?
5-(2-bromocyclopentyl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 300.14 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromocyclopentyl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 106784064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).