5-(3-chloro-4,4-dimethylpentyl)-2-(trifluoromethyl)-1,3-thiazole

C11H15ClF3NS — CID 106784225

IUPAC5-(3-chloro-4,4-dimethylpentyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCC(C)(C)C(Cl)CCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H15ClF3NS/c1-10(2,3)8(12)5-4-7-6-16-9(17-7)11(13,14)15/h6,8H,4-5H2,1-3H3
InChIKeyIPMYADNHHYRAKV-UHFFFAOYSA-N
MW285.76 g/mol
LogP4.75
Rot. Bonds3

About 5-(3-chloro-4,4-dimethylpentyl)-2-(trifluoromethyl)-1,3-thiazole

5-(3-chloro-4,4-dimethylpentyl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 106784225) has the molecular formula C11H15ClF3NS and a molecular weight of 285.76 g/mol. Its IUPAC name is 5-(3-chloro-4,4-dimethylpentyl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(3-chloro-4,4-dimethylpentyl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID106784225
Molecular FormulaC11H15ClF3NS
Molecular Weight285.76 g/mol
Exact Mass285.06
IUPAC Name5-(3-chloro-4,4-dimethylpentyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCC(C)(C)C(Cl)CCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H15ClF3NS/c1-10(2,3)8(12)5-4-7-6-16-9(17-7)11(13,14)15/h6,8H,4-5H2,1-3H3
InChIKeyIPMYADNHHYRAKV-UHFFFAOYSA-N
XLogP4.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 54.75
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-fluoro-1,3-thiazole
CID 59623658
5-(2-Methylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 68055880
2-[(2-Ethyl-1,3-thiazol-5-yl)methyl]-2-(3,3,3-trifluoropropyl)propanedinitrile
CID 89006175
2-[(2-Methyl-1,3-thiazol-5-yl)methyl]-2-(3,3,3-trifluoropropyl)propanedinitrile
CID 89006225
2-[(2-Chloro-1,3-thiazol-5-yl)methyl]-2-(3,3,3-trifluoropropyl)propanedinitrile
CID 89006349
2-[(2-Tert-butyl-1,3-thiazol-5-yl)methyl]-2-(3,3,3-trifluoropropyl)propanedinitrile
CID 89006361
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-Butan-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 144868136
5-Nonan-3-yl-2-(trifluoromethyl)-1,3-thiazole
CID 146558774
2-Methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole
CID 163762677
5-[(1S,2R)-2-propan-2-ylcyclopropyl]-2-(trifluoromethyl)-1,3-thiazole
CID 166826846

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4,4-dimethylpentyl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-(3-chloro-4,4-dimethylpentyl)-2-(trifluoromethyl)-1,3-thiazole (CID 106784225) is 5-(3-chloro-4,4-dimethylpentyl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-(3-chloro-4,4-dimethylpentyl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-(3-chloro-4,4-dimethylpentyl)-2-(trifluoromethyl)-1,3-thiazole is CC(C)(C)C(Cl)CCc1cnc(C(F)(F)F)s1.
What is the InChIKey of 5-(3-chloro-4,4-dimethylpentyl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is IPMYADNHHYRAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF3NS/c1-10(2,3)8(12)5-4-7-6-16-9(17-7)11(13,14)15/h6,8H,4-5H2,1-3H3.
What are the key properties of 5-(3-chloro-4,4-dimethylpentyl)-2-(trifluoromethyl)-1,3-thiazole?
5-(3-chloro-4,4-dimethylpentyl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 285.76 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4,4-dimethylpentyl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 106784225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).