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

C9H11ClF3NS — CID 106784222

IUPAC5-(3-chloropentyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCCC(Cl)CCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H11ClF3NS/c1-2-6(10)3-4-7-5-14-8(15-7)9(11,12)13/h5-6H,2-4H2,1H3
InChIKeyAJKQOQLDMBXTRS-UHFFFAOYSA-N
MW257.71 g/mol
LogP4.11
Rot. Bonds4

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

5-(3-chloropentyl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 106784222) has the molecular formula C9H11ClF3NS and a molecular weight of 257.71 g/mol. Its IUPAC name is 5-(3-chloropentyl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(3-chloropentyl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID106784222
Molecular FormulaC9H11ClF3NS
Molecular Weight257.71 g/mol
Exact Mass257.03
IUPAC Name5-(3-chloropentyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCCC(Cl)CCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H11ClF3NS/c1-2-6(10)3-4-7-5-14-8(15-7)9(11,12)13/h5-6H,2-4H2,1H3
InChIKeyAJKQOQLDMBXTRS-UHFFFAOYSA-N
XLogP4.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.71
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloropentyl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-(3-chloropentyl)-2-(trifluoromethyl)-1,3-thiazole (CID 106784222) is 5-(3-chloropentyl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-(3-chloropentyl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-(3-chloropentyl)-2-(trifluoromethyl)-1,3-thiazole is CCC(Cl)CCc1cnc(C(F)(F)F)s1.
What is the InChIKey of 5-(3-chloropentyl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is AJKQOQLDMBXTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3NS/c1-2-6(10)3-4-7-5-14-8(15-7)9(11,12)13/h5-6H,2-4H2,1H3.
What are the key properties of 5-(3-chloropentyl)-2-(trifluoromethyl)-1,3-thiazole?
5-(3-chloropentyl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 257.71 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloropentyl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 106784222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).