5-(5-bromopent-2-en-2-yl)-2-(trifluoromethyl)-1,3-thiazole

C9H9BrF3NS — CID 106784469

IUPAC5-(5-bromopent-2-en-2-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCC(=CCCBr)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H9BrF3NS/c1-6(3-2-4-10)7-5-14-8(15-7)9(11,12)13/h3,5H,2,4H2,1H3
InChIKeyIXNGISMEPWDRJJ-UHFFFAOYSA-N
MW300.14 g/mol
LogP4.35
Rot. Bonds3

About 5-(5-bromopent-2-en-2-yl)-2-(trifluoromethyl)-1,3-thiazole

5-(5-bromopent-2-en-2-yl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 106784469) has the molecular formula C9H9BrF3NS and a molecular weight of 300.14 g/mol. Its IUPAC name is 5-(5-bromopent-2-en-2-yl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(5-bromopent-2-en-2-yl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID106784469
Molecular FormulaC9H9BrF3NS
Molecular Weight300.14 g/mol
Exact Mass298.96
IUPAC Name5-(5-bromopent-2-en-2-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCC(=CCCBr)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H9BrF3NS/c1-6(3-2-4-10)7-5-14-8(15-7)9(11,12)13/h3,5H,2,4H2,1H3
InChIKeyIXNGISMEPWDRJJ-UHFFFAOYSA-N
XLogP4.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 54.35
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-(1-Bromoethyl)-2-(trifluoromethyl)-1,3-thiazole
CID 135317741
5-[(1E,3E)-2,3-difluoropenta-1,3-dienyl]-2-methyl-1,3-thiazole
CID 145018659
2-(1,1-Difluoroethyl)-5-prop-1-en-2-yl-1,3-thiazole
CID 156717485
[(4Z,6Z)-7-fluoro-2-methyl-6-(2-methyl-1,3-thiazol-5-yl)octa-2,4,6-trien-3-yl]-trimethylstannane
CID 167503536
5-(3-Methylbut-2-en-2-yl)-2-propyl-1,3-thiazole
CID 101848667
5-(2,5-dihydro-1H-pyrrol-3-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784091
5-[(E)-4-bromobut-1-enyl]-2-(trifluoromethyl)-1,3-thiazole
CID 106784467
5-(5-Chloropent-2-en-2-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784468
4-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine
CID 106784470
(Z)-N-methyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine
CID 106784478
(Z)-N-ethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine
CID 106784479
(Z)-N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine
CID 106784480

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromopent-2-en-2-yl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-(5-bromopent-2-en-2-yl)-2-(trifluoromethyl)-1,3-thiazole (CID 106784469) is 5-(5-bromopent-2-en-2-yl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-(5-bromopent-2-en-2-yl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-(5-bromopent-2-en-2-yl)-2-(trifluoromethyl)-1,3-thiazole is CC(=CCCBr)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 5-(5-bromopent-2-en-2-yl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is IXNGISMEPWDRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3NS/c1-6(3-2-4-10)7-5-14-8(15-7)9(11,12)13/h3,5H,2,4H2,1H3.
What are the key properties of 5-(5-bromopent-2-en-2-yl)-2-(trifluoromethyl)-1,3-thiazole?
5-(5-bromopent-2-en-2-yl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 300.14 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromopent-2-en-2-yl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 106784469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).