5-(1-bromoethyl)-2-(trifluoromethyl)-1,3-thiazole

C6H5BrF3NS — CID 135317741

IUPAC5-(1-bromoethyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCC(Br)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C6H5BrF3NS/c1-3(7)4-2-11-5(12-4)6(8,9)10/h2-3H,1H3
InChIKeyRBDYYGHPPYTPHJ-UHFFFAOYSA-N
MW260.08 g/mol
LogP3.62
Rot. Bonds1

About 5-(1-bromoethyl)-2-(trifluoromethyl)-1,3-thiazole

5-(1-bromoethyl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 135317741) has the molecular formula C6H5BrF3NS and a molecular weight of 260.08 g/mol. Its IUPAC name is 5-(1-bromoethyl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(1-bromoethyl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID135317741
Molecular FormulaC6H5BrF3NS
Molecular Weight260.08 g/mol
Exact Mass258.93
IUPAC Name5-(1-bromoethyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCC(Br)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C6H5BrF3NS/c1-3(7)4-2-11-5(12-4)6(8,9)10/h2-3H,1H3
InChIKeyRBDYYGHPPYTPHJ-UHFFFAOYSA-N
XLogP3.62
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.08
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1-bromoethyl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-(1-bromoethyl)-2-(trifluoromethyl)-1,3-thiazole (CID 135317741) is 5-(1-bromoethyl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-(1-bromoethyl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-(1-bromoethyl)-2-(trifluoromethyl)-1,3-thiazole is CC(Br)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 5-(1-bromoethyl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is RBDYYGHPPYTPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrF3NS/c1-3(7)4-2-11-5(12-4)6(8,9)10/h2-3H,1H3.
What are the key properties of 5-(1-bromoethyl)-2-(trifluoromethyl)-1,3-thiazole?
5-(1-bromoethyl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 260.08 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-bromoethyl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 135317741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).