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

C9H9ClF3NS — CID 106784468

IUPAC5-(5-chloropent-2-en-2-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCC(=CCCCl)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H9ClF3NS/c1-6(3-2-4-10)7-5-14-8(15-7)9(11,12)13/h3,5H,2,4H2,1H3
InChIKeyUFISQVSKOHVQMU-UHFFFAOYSA-N
MW255.69 g/mol
LogP4.19
Rot. Bonds3

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

5-(5-chloropent-2-en-2-yl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 106784468) has the molecular formula C9H9ClF3NS and a molecular weight of 255.69 g/mol. Its IUPAC name is 5-(5-chloropent-2-en-2-yl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(5-chloropent-2-en-2-yl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID106784468
Molecular FormulaC9H9ClF3NS
Molecular Weight255.69 g/mol
Exact Mass255.01
IUPAC Name5-(5-chloropent-2-en-2-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCC(=CCCCl)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H9ClF3NS/c1-6(3-2-4-10)7-5-14-8(15-7)9(11,12)13/h3,5H,2,4H2,1H3
InChIKeyUFISQVSKOHVQMU-UHFFFAOYSA-N
XLogP4.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.69
LogP ≤ 54.19
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-[(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-(3-Chlorocyclohexen-1-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784246
5-(3-Chloro-5,5-dimethylcyclohexen-1-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784247
5-(3-Chlorocyclopenten-1-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784248
5-[(E)-4-chlorobut-1-enyl]-2-(trifluoromethyl)-1,3-thiazole
CID 106784466
5-(5-Bromopent-2-en-2-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784469
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

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloropent-2-en-2-yl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-(5-chloropent-2-en-2-yl)-2-(trifluoromethyl)-1,3-thiazole (CID 106784468) is 5-(5-chloropent-2-en-2-yl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-(5-chloropent-2-en-2-yl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-(5-chloropent-2-en-2-yl)-2-(trifluoromethyl)-1,3-thiazole is CC(=CCCCl)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 5-(5-chloropent-2-en-2-yl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is UFISQVSKOHVQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3NS/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-chloropent-2-en-2-yl)-2-(trifluoromethyl)-1,3-thiazole?
5-(5-chloropent-2-en-2-yl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 255.69 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloropent-2-en-2-yl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 106784468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).