5-(3-chloro-1-methylcyclopentyl)-2-(trifluoromethyl)-1,3-thiazole

C10H11ClF3NS — CID 106784249

IUPAC5-(3-chloro-1-methylcyclopentyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCC1(c2cnc(C(F)(F)F)s2)CCC(Cl)C1
InChIInChI=1S/C10H11ClF3NS/c1-9(3-2-6(11)4-9)7-5-15-8(16-7)10(12,13)14/h5-6H,2-4H2,1H3
InChIKeyBCQOOXMSPNRFFE-UHFFFAOYSA-N
MW269.72 g/mol
LogP4.21
Rot. Bonds1

About 5-(3-chloro-1-methylcyclopentyl)-2-(trifluoromethyl)-1,3-thiazole

5-(3-chloro-1-methylcyclopentyl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 106784249) has the molecular formula C10H11ClF3NS and a molecular weight of 269.72 g/mol. Its IUPAC name is 5-(3-chloro-1-methylcyclopentyl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(3-chloro-1-methylcyclopentyl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID106784249
Molecular FormulaC10H11ClF3NS
Molecular Weight269.72 g/mol
Exact Mass269.03
IUPAC Name5-(3-chloro-1-methylcyclopentyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCC1(c2cnc(C(F)(F)F)s2)CCC(Cl)C1
InChIInChI=1S/C10H11ClF3NS/c1-9(3-2-6(11)4-9)7-5-15-8(16-7)10(12,13)14/h5-6H,2-4H2,1H3
InChIKeyBCQOOXMSPNRFFE-UHFFFAOYSA-N
XLogP4.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.72
LogP ≤ 54.21
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-(2,2-Dimethylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 118516102
2-Methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole
CID 163762677
5-(1,1-Difluoro-2-methylbutyl)-2-methyl-1,3-thiazole
CID 170423974
2-Methyl-5-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole
CID 176285105
5-(2-Chlorocyclohexyl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784059
5-(2-Chlorocyclopentyl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784060
5-(2-Chlorocycloheptyl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784061
5-(3-Chlorobutan-2-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784066
3-Methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-amine
CID 106784195
5-(3-Chloropropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784216
5-(3-Chlorobutyl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784217
5-(3-Chlorocyclopentyl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784218

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-1-methylcyclopentyl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-(3-chloro-1-methylcyclopentyl)-2-(trifluoromethyl)-1,3-thiazole (CID 106784249) is 5-(3-chloro-1-methylcyclopentyl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-(3-chloro-1-methylcyclopentyl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-(3-chloro-1-methylcyclopentyl)-2-(trifluoromethyl)-1,3-thiazole is CC1(c2cnc(C(F)(F)F)s2)CCC(Cl)C1.
What is the InChIKey of 5-(3-chloro-1-methylcyclopentyl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is BCQOOXMSPNRFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NS/c1-9(3-2-6(11)4-9)7-5-15-8(16-7)10(12,13)14/h5-6H,2-4H2,1H3.
What are the key properties of 5-(3-chloro-1-methylcyclopentyl)-2-(trifluoromethyl)-1,3-thiazole?
5-(3-chloro-1-methylcyclopentyl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 269.72 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-1-methylcyclopentyl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 106784249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).