5-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole

C6H7BrFNS — CID 84789579

IUPAC5-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole
SMILESCC(C)(F)c1ncc(Br)s1
InChIInChI=1S/C6H7BrFNS/c1-6(2,8)5-9-3-4(7)10-5/h3H,1-2H3
InChIKeyHONKERSDCDOUPR-UHFFFAOYSA-N
MW224.10 g/mol
LogP3.11
Rot. Bonds1

About 5-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole

5-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole (PubChem CID 84789579) has the molecular formula C6H7BrFNS and a molecular weight of 224.10 g/mol. Its IUPAC name is 5-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole
PubChem CID84789579
Molecular FormulaC6H7BrFNS
Molecular Weight224.10 g/mol
Exact Mass222.95
IUPAC Name5-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole
SMILESCC(C)(F)c1ncc(Br)s1
InChIInChI=1S/C6H7BrFNS/c1-6(2,8)5-9-3-4(7)10-5/h3H,1-2H3
InChIKeyHONKERSDCDOUPR-UHFFFAOYSA-N
XLogP3.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.10
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole?
The IUPAC name of 5-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole (CID 84789579) is 5-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole?
The canonical SMILES for 5-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole is CC(C)(F)c1ncc(Br)s1.
What is the InChIKey of 5-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole?
The InChIKey is HONKERSDCDOUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrFNS/c1-6(2,8)5-9-3-4(7)10-5/h3H,1-2H3.
What are the key properties of 5-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole?
5-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole has a molecular weight of 224.10 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole is sourced from PubChem (CID 84789579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).