2-(bromomethyl)-6-[1-(trifluoromethyl)cyclopropyl]-[1,3]thiazolo[5,4-b]pyridine

C11H8BrF3N2S — CID 90154002

IUPAC2-(bromomethyl)-6-[1-(trifluoromethyl)cyclopropyl]-[1,3]thiazolo[5,4-b]pyridine
SMILESFC(F)(F)C1(c2cnc3sc(CBr)nc3c2)CC1
InChIInChI=1S/C11H8BrF3N2S/c12-4-8-17-7-3-6(5-16-9(7)18-8)10(1-2-10)11(13,14)15/h3,5H,1-2,4H2
InChIKeyXTTWIPFSDGVGTJ-UHFFFAOYSA-N
MW337.16 g/mol
LogP4.18
Rot. Bonds2

About 2-(bromomethyl)-6-[1-(trifluoromethyl)cyclopropyl]-[1,3]thiazolo[5,4-b]pyridine

2-(bromomethyl)-6-[1-(trifluoromethyl)cyclopropyl]-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 90154002) has the molecular formula C11H8BrF3N2S and a molecular weight of 337.16 g/mol. Its IUPAC name is 2-(bromomethyl)-6-[1-(trifluoromethyl)cyclopropyl]-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-(bromomethyl)-6-[1-(trifluoromethyl)cyclopropyl]-[1,3]thiazolo[5,4-b]pyridine
PubChem CID90154002
Molecular FormulaC11H8BrF3N2S
Molecular Weight337.16 g/mol
Exact Mass335.95
IUPAC Name2-(bromomethyl)-6-[1-(trifluoromethyl)cyclopropyl]-[1,3]thiazolo[5,4-b]pyridine
SMILESFC(F)(F)C1(c2cnc3sc(CBr)nc3c2)CC1
InChIInChI=1S/C11H8BrF3N2S/c12-4-8-17-7-3-6(5-16-9(7)18-8)10(1-2-10)11(13,14)15/h3,5H,1-2,4H2
InChIKeyXTTWIPFSDGVGTJ-UHFFFAOYSA-N
XLogP4.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-6-[1-(trifluoromethyl)cyclopropyl]-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 2-(bromomethyl)-6-[1-(trifluoromethyl)cyclopropyl]-[1,3]thiazolo[5,4-b]pyridine (CID 90154002) is 2-(bromomethyl)-6-[1-(trifluoromethyl)cyclopropyl]-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 2-(bromomethyl)-6-[1-(trifluoromethyl)cyclopropyl]-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2-(bromomethyl)-6-[1-(trifluoromethyl)cyclopropyl]-[1,3]thiazolo[5,4-b]pyridine is FC(F)(F)C1(c2cnc3sc(CBr)nc3c2)CC1.
What is the InChIKey of 2-(bromomethyl)-6-[1-(trifluoromethyl)cyclopropyl]-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is XTTWIPFSDGVGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF3N2S/c12-4-8-17-7-3-6(5-16-9(7)18-8)10(1-2-10)11(13,14)15/h3,5H,1-2,4H2.
What are the key properties of 2-(bromomethyl)-6-[1-(trifluoromethyl)cyclopropyl]-[1,3]thiazolo[5,4-b]pyridine?
2-(bromomethyl)-6-[1-(trifluoromethyl)cyclopropyl]-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 337.16 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-6-[1-(trifluoromethyl)cyclopropyl]-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 90154002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).