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

C10H13ClF3NS — CID 106784240

IUPAC5-(4-chloro-2-methylpentan-2-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCC(Cl)CC(C)(C)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H13ClF3NS/c1-6(11)4-9(2,3)7-5-15-8(16-7)10(12,13)14/h5-6H,4H2,1-3H3
InChIKeyDZILOVULZOKTJU-UHFFFAOYSA-N
MW271.74 g/mol
LogP4.46
Rot. Bonds3

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

5-(4-chloro-2-methylpentan-2-yl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 106784240) has the molecular formula C10H13ClF3NS and a molecular weight of 271.74 g/mol. Its IUPAC name is 5-(4-chloro-2-methylpentan-2-yl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(4-chloro-2-methylpentan-2-yl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID106784240
Molecular FormulaC10H13ClF3NS
Molecular Weight271.74 g/mol
Exact Mass271.04
IUPAC Name5-(4-chloro-2-methylpentan-2-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCC(Cl)CC(C)(C)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H13ClF3NS/c1-6(11)4-9(2,3)7-5-15-8(16-7)10(12,13)14/h5-6H,4H2,1-3H3
InChIKeyDZILOVULZOKTJU-UHFFFAOYSA-N
XLogP4.46
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 54.46
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-(3,3-Dimethylbutan-2-yl)-2-fluoro-1,3-thiazole
CID 59623676
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-Tert-butyl-2-(trifluoromethyl)-1,3-thiazole
CID 122646718
5-(2-Methylpropyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 137444283
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

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-methylpentan-2-yl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-(4-chloro-2-methylpentan-2-yl)-2-(trifluoromethyl)-1,3-thiazole (CID 106784240) is 5-(4-chloro-2-methylpentan-2-yl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-(4-chloro-2-methylpentan-2-yl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-(4-chloro-2-methylpentan-2-yl)-2-(trifluoromethyl)-1,3-thiazole is CC(Cl)CC(C)(C)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 5-(4-chloro-2-methylpentan-2-yl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is DZILOVULZOKTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3NS/c1-6(11)4-9(2,3)7-5-15-8(16-7)10(12,13)14/h5-6H,4H2,1-3H3.
What are the key properties of 5-(4-chloro-2-methylpentan-2-yl)-2-(trifluoromethyl)-1,3-thiazole?
5-(4-chloro-2-methylpentan-2-yl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 271.74 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-methylpentan-2-yl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 106784240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).