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

C5H4BrF2NS — CID 84792020

IUPAC4-bromo-2-(1,1-difluoroethyl)-1,3-thiazole
SMILESCC(F)(F)c1nc(Br)cs1
InChIInChI=1S/C5H4BrF2NS/c1-5(7,8)4-9-3(6)2-10-4/h2H,1H3
InChIKeyXPTHWXHFQQYSKU-UHFFFAOYSA-N
MW228.06 g/mol
LogP3.02
Rot. Bonds1

About 4-bromo-2-(1,1-difluoroethyl)-1,3-thiazole

4-bromo-2-(1,1-difluoroethyl)-1,3-thiazole (PubChem CID 84792020) has the molecular formula C5H4BrF2NS and a molecular weight of 228.06 g/mol. Its IUPAC name is 4-bromo-2-(1,1-difluoroethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(1,1-difluoroethyl)-1,3-thiazole
PubChem CID84792020
Molecular FormulaC5H4BrF2NS
Molecular Weight228.06 g/mol
Exact Mass226.92
IUPAC Name4-bromo-2-(1,1-difluoroethyl)-1,3-thiazole
SMILESCC(F)(F)c1nc(Br)cs1
InChIInChI=1S/C5H4BrF2NS/c1-5(7,8)4-9-3(6)2-10-4/h2H,1H3
InChIKeyXPTHWXHFQQYSKU-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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Related Compounds

4-Bromo-2-isopropyl-1,3-thiazole
CID 2763182
4-Bromo-2-methyl-1,3-thiazole
CID 2763186
4-Bromo-2-(trifluoromethyl)-1,3-thiazole
CID 15122066
4-Bromo-2-cyclopropyl-1,3-thiazole
CID 45141884
4-Bromo-2-(tert-butyl)thiazole
CID 45787741
4-Bromo-2-(difluoromethyl)-1,3-thiazole
CID 84783298
2-(4-Bromo-1,3-thiazol-2-yl)acetonitrile
CID 130138905
4-Bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole
CID 84789578
4-Bromo-2-(sec-butyl)thiazole
CID 10889421
4-Bromo-2-butyl-1,3-thiazole
CID 11096125
4-Bromo-2-(iso-butyl)thiazole
CID 10932955
4-Bromo-2-ethylthiazole
CID 18761614

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(1,1-difluoroethyl)-1,3-thiazole?
The IUPAC name of 4-bromo-2-(1,1-difluoroethyl)-1,3-thiazole (CID 84792020) is 4-bromo-2-(1,1-difluoroethyl)-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(1,1-difluoroethyl)-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(1,1-difluoroethyl)-1,3-thiazole is CC(F)(F)c1nc(Br)cs1.
What is the InChIKey of 4-bromo-2-(1,1-difluoroethyl)-1,3-thiazole?
The InChIKey is XPTHWXHFQQYSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrF2NS/c1-5(7,8)4-9-3(6)2-10-4/h2H,1H3.
What are the key properties of 4-bromo-2-(1,1-difluoroethyl)-1,3-thiazole?
4-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 4-bromo-2-(1,1-difluoroethyl)-1,3-thiazole is sourced from PubChem (CID 84792020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).