4-bromo-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole

C11H7BrF4N2S — CID 159010576

IUPAC4-bromo-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole
SMILESCC(c1sc(-c2cncc(F)c2)nc1Br)C(F)(F)F
InChIInChI=1S/C11H7BrF4N2S/c1-5(11(14,15)16)8-9(12)18-10(19-8)6-2-7(13)4-17-3-6/h2-5H,1H3
InChIKeyGLEQBXYGKROSHH-UHFFFAOYSA-N
MW355.15 g/mol
LogP4.77
Rot. Bonds2

About 4-bromo-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole

4-bromo-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole (PubChem CID 159010576) has the molecular formula C11H7BrF4N2S and a molecular weight of 355.15 g/mol. Its IUPAC name is 4-bromo-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole
PubChem CID159010576
Molecular FormulaC11H7BrF4N2S
Molecular Weight355.15 g/mol
Exact Mass353.94
IUPAC Name4-bromo-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole
SMILESCC(c1sc(-c2cncc(F)c2)nc1Br)C(F)(F)F
InChIInChI=1S/C11H7BrF4N2S/c1-5(11(14,15)16)8-9(12)18-10(19-8)6-2-7(13)4-17-3-6/h2-5H,1H3
InChIKeyGLEQBXYGKROSHH-UHFFFAOYSA-N
XLogP4.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.15
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole?
The IUPAC name of 4-bromo-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole (CID 159010576) is 4-bromo-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole is CC(c1sc(-c2cncc(F)c2)nc1Br)C(F)(F)F.
What is the InChIKey of 4-bromo-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole?
The InChIKey is GLEQBXYGKROSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF4N2S/c1-5(11(14,15)16)8-9(12)18-10(19-8)6-2-7(13)4-17-3-6/h2-5H,1H3.
What are the key properties of 4-bromo-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole?
4-bromo-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole has a molecular weight of 355.15 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole is sourced from PubChem (CID 159010576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).