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

C5H5BrFNS — CID 119085270

IUPAC4-bromo-2-(1-fluoroethyl)-1,3-thiazole
SMILESCC(F)c1nc(Br)cs1
InChIInChI=1S/C5H5BrFNS/c1-3(7)5-8-4(6)2-9-5/h2-3H,1H3
InChIKeySCMZAICHLDRUKS-UHFFFAOYSA-N
MW210.07 g/mol
LogP2.94
Rot. Bonds1

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

4-bromo-2-(1-fluoroethyl)-1,3-thiazole (PubChem CID 119085270) has the molecular formula C5H5BrFNS and a molecular weight of 210.07 g/mol. Its IUPAC name is 4-bromo-2-(1-fluoroethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(1-fluoroethyl)-1,3-thiazole
PubChem CID119085270
Molecular FormulaC5H5BrFNS
Molecular Weight210.07 g/mol
Exact Mass208.93
IUPAC Name4-bromo-2-(1-fluoroethyl)-1,3-thiazole
SMILESCC(F)c1nc(Br)cs1
InChIInChI=1S/C5H5BrFNS/c1-3(7)5-8-4(6)2-9-5/h2-3H,1H3
InChIKeySCMZAICHLDRUKS-UHFFFAOYSA-N
XLogP2.94
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.07
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(1-fluoroethyl)-1,3-thiazole?
The IUPAC name of 4-bromo-2-(1-fluoroethyl)-1,3-thiazole (CID 119085270) is 4-bromo-2-(1-fluoroethyl)-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(1-fluoroethyl)-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(1-fluoroethyl)-1,3-thiazole is CC(F)c1nc(Br)cs1.
What is the InChIKey of 4-bromo-2-(1-fluoroethyl)-1,3-thiazole?
The InChIKey is SCMZAICHLDRUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrFNS/c1-3(7)5-8-4(6)2-9-5/h2-3H,1H3.
What are the key properties of 4-bromo-2-(1-fluoroethyl)-1,3-thiazole?
4-bromo-2-(1-fluoroethyl)-1,3-thiazole has a molecular weight of 210.07 g/mol, XLogP of 2.94, 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-fluoroethyl)-1,3-thiazole is sourced from PubChem (CID 119085270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).