5-bromo-2-(1,1-difluoroethyl)-1,3-thiazole

C5H4BrF2NS — CID 84792021

IUPAC5-bromo-2-(1,1-difluoroethyl)-1,3-thiazole
SMILESCC(F)(F)c1ncc(Br)s1
InChIInChI=1S/C5H4BrF2NS/c1-5(7,8)4-9-2-3(6)10-4/h2H,1H3
InChIKeyKSPVWVQUKNKFNS-UHFFFAOYSA-N
MW228.06 g/mol
LogP3.02
Rot. Bonds1

About 5-bromo-2-(1,1-difluoroethyl)-1,3-thiazole

5-bromo-2-(1,1-difluoroethyl)-1,3-thiazole (PubChem CID 84792021) has the molecular formula C5H4BrF2NS and a molecular weight of 228.06 g/mol. Its IUPAC name is 5-bromo-2-(1,1-difluoroethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-(1,1-difluoroethyl)-1,3-thiazole
PubChem CID84792021
Molecular FormulaC5H4BrF2NS
Molecular Weight228.06 g/mol
Exact Mass226.92
IUPAC Name5-bromo-2-(1,1-difluoroethyl)-1,3-thiazole
SMILESCC(F)(F)c1ncc(Br)s1
InChIInChI=1S/C5H4BrF2NS/c1-5(7,8)4-9-2-3(6)10-4/h2H,1H3
InChIKeyKSPVWVQUKNKFNS-UHFFFAOYSA-N
XLogP3.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.06
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1,1-difluoroethyl)-1,3-thiazole?
The IUPAC name of 5-bromo-2-(1,1-difluoroethyl)-1,3-thiazole (CID 84792021) is 5-bromo-2-(1,1-difluoroethyl)-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-(1,1-difluoroethyl)-1,3-thiazole?
The canonical SMILES for 5-bromo-2-(1,1-difluoroethyl)-1,3-thiazole is CC(F)(F)c1ncc(Br)s1.
What is the InChIKey of 5-bromo-2-(1,1-difluoroethyl)-1,3-thiazole?
The InChIKey is KSPVWVQUKNKFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrF2NS/c1-5(7,8)4-9-2-3(6)10-4/h2H,1H3.
What are the key properties of 5-bromo-2-(1,1-difluoroethyl)-1,3-thiazole?
5-bromo-2-(1,1-difluoroethyl)-1,3-thiazole has a molecular weight of 228.06 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1,1-difluoroethyl)-1,3-thiazole is sourced from PubChem (CID 84792021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).