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

C10H13ClF3NS — CID 106784220

IUPAC5-(3-chlorohexyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCCCC(Cl)CCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H13ClF3NS/c1-2-3-7(11)4-5-8-6-15-9(16-8)10(12,13)14/h6-7H,2-5H2,1H3
InChIKeyVMVONGWIRVTGGY-UHFFFAOYSA-N
MW271.74 g/mol
LogP4.50
Rot. Bonds5

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

5-(3-chlorohexyl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 106784220) has the molecular formula C10H13ClF3NS and a molecular weight of 271.74 g/mol. Its IUPAC name is 5-(3-chlorohexyl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(3-chlorohexyl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID106784220
Molecular FormulaC10H13ClF3NS
Molecular Weight271.74 g/mol
Exact Mass271.04
IUPAC Name5-(3-chlorohexyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCCCC(Cl)CCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H13ClF3NS/c1-2-3-7(11)4-5-8-6-15-9(16-8)10(12,13)14/h6-7H,2-5H2,1H3
InChIKeyVMVONGWIRVTGGY-UHFFFAOYSA-N
XLogP4.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 54.50
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-(7,7,7-Trifluoroheptyl)-1,3-thiazole
CID 117719633
5-(2,2-Dimethylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 118516102
5-(2-Methylpropyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 137444283
5-(4-Fluorobutyl)-2-methyl-1,3-thiazole
CID 141873778
5-Butan-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 144868136
5-Nonan-3-yl-2-(trifluoromethyl)-1,3-thiazole
CID 146558774
5-Propyl-2-(trifluoromethyl)-1,3-thiazole
CID 147938519
2-Chloro-5-(4,4-difluorobut-3-enyl)-1,3-thiazole
CID 150341390
5-Octan-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 167185113
5-(1,1-Difluoropropyl)-2-methyl-1,3-thiazole
CID 170413806
5-Butyl-2-ethylthiazole
CID 581137

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorohexyl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-(3-chlorohexyl)-2-(trifluoromethyl)-1,3-thiazole (CID 106784220) is 5-(3-chlorohexyl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-(3-chlorohexyl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-(3-chlorohexyl)-2-(trifluoromethyl)-1,3-thiazole is CCCC(Cl)CCc1cnc(C(F)(F)F)s1.
What is the InChIKey of 5-(3-chlorohexyl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is VMVONGWIRVTGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3NS/c1-2-3-7(11)4-5-8-6-15-9(16-8)10(12,13)14/h6-7H,2-5H2,1H3.
What are the key properties of 5-(3-chlorohexyl)-2-(trifluoromethyl)-1,3-thiazole?
5-(3-chlorohexyl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 271.74 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorohexyl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 106784220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).