5-(4-chloropentan-2-yl)-2-(trifluoromethyl)-1,3-thiazole

C9H11ClF3NS — CID 106784238

IUPAC5-(4-chloropentan-2-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCC(Cl)CC(C)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H11ClF3NS/c1-5(3-6(2)10)7-4-14-8(15-7)9(11,12)13/h4-6H,3H2,1-2H3
InChIKeyJIWPCEFYCCPTLY-UHFFFAOYSA-N
MW257.71 g/mol
LogP4.28
Rot. Bonds3

About 5-(4-chloropentan-2-yl)-2-(trifluoromethyl)-1,3-thiazole

5-(4-chloropentan-2-yl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 106784238) has the molecular formula C9H11ClF3NS and a molecular weight of 257.71 g/mol. Its IUPAC name is 5-(4-chloropentan-2-yl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(4-chloropentan-2-yl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID106784238
Molecular FormulaC9H11ClF3NS
Molecular Weight257.71 g/mol
Exact Mass257.03
IUPAC Name5-(4-chloropentan-2-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCC(Cl)CC(C)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H11ClF3NS/c1-5(3-6(2)10)7-4-14-8(15-7)9(11,12)13/h4-6H,3H2,1-2H3
InChIKeyJIWPCEFYCCPTLY-UHFFFAOYSA-N
XLogP4.28
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.71
LogP ≤ 54.28
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-(3,3-Dimethylbutan-2-yl)-2-fluoro-1,3-thiazole
CID 59623676
2-(1,1-Difluoroethyl)-5-propan-2-yl-1,3-thiazole
CID 66804063
5-(2-Methylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 68055880
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
2-Methyl-5-(1,1,1-trifluorobutan-2-yl)-1,3-thiazole;molybdenum
CID 145515244
5-Nonan-3-yl-2-(trifluoromethyl)-1,3-thiazole
CID 146558774
5-Propyl-2-(trifluoromethyl)-1,3-thiazole
CID 147938519
5-(1,1-Difluoro-2-methylpropyl)-3-methyl-1,3-thiazol-3-ium
CID 156672688
5-(1,1-Difluoro-2-methylpropyl)-1,3-thiazole
CID 156672690

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloropentan-2-yl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-(4-chloropentan-2-yl)-2-(trifluoromethyl)-1,3-thiazole (CID 106784238) is 5-(4-chloropentan-2-yl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-(4-chloropentan-2-yl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-(4-chloropentan-2-yl)-2-(trifluoromethyl)-1,3-thiazole is CC(Cl)CC(C)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 5-(4-chloropentan-2-yl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is JIWPCEFYCCPTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3NS/c1-5(3-6(2)10)7-4-14-8(15-7)9(11,12)13/h4-6H,3H2,1-2H3.
What are the key properties of 5-(4-chloropentan-2-yl)-2-(trifluoromethyl)-1,3-thiazole?
5-(4-chloropentan-2-yl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 257.71 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloropentan-2-yl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 106784238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).