4-[4-[bromo(fluoro)methyl]phenyl]-1,3-thiazole

C10H7BrFNS — CID 118663179

IUPAC4-[4-[bromo(fluoro)methyl]phenyl]-1,3-thiazole
SMILESFC(Br)c1ccc(-c2cscn2)cc1
InChIInChI=1S/C10H7BrFNS/c11-10(12)8-3-1-7(2-4-8)9-5-14-6-13-9/h1-6,10H
InChIKeyBZSUUAMNAONAKR-UHFFFAOYSA-N
MW272.14 g/mol
LogP4.17
Rot. Bonds2

About 4-[4-[bromo(fluoro)methyl]phenyl]-1,3-thiazole

4-[4-[bromo(fluoro)methyl]phenyl]-1,3-thiazole (PubChem CID 118663179) has the molecular formula C10H7BrFNS and a molecular weight of 272.14 g/mol. Its IUPAC name is 4-[4-[bromo(fluoro)methyl]phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[4-[bromo(fluoro)methyl]phenyl]-1,3-thiazole
PubChem CID118663179
Molecular FormulaC10H7BrFNS
Molecular Weight272.14 g/mol
Exact Mass270.95
IUPAC Name4-[4-[bromo(fluoro)methyl]phenyl]-1,3-thiazole
SMILESFC(Br)c1ccc(-c2cscn2)cc1
InChIInChI=1S/C10H7BrFNS/c11-10(12)8-3-1-7(2-4-8)9-5-14-6-13-9/h1-6,10H
InChIKeyBZSUUAMNAONAKR-UHFFFAOYSA-N
XLogP4.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-[4-[bromo(fluoro)methyl]phenyl]-1,3-thiazole?
The IUPAC name of 4-[4-[bromo(fluoro)methyl]phenyl]-1,3-thiazole (CID 118663179) is 4-[4-[bromo(fluoro)methyl]phenyl]-1,3-thiazole.
What is the SMILES notation for 4-[4-[bromo(fluoro)methyl]phenyl]-1,3-thiazole?
The canonical SMILES for 4-[4-[bromo(fluoro)methyl]phenyl]-1,3-thiazole is FC(Br)c1ccc(-c2cscn2)cc1.
What is the InChIKey of 4-[4-[bromo(fluoro)methyl]phenyl]-1,3-thiazole?
The InChIKey is BZSUUAMNAONAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFNS/c11-10(12)8-3-1-7(2-4-8)9-5-14-6-13-9/h1-6,10H.
What are the key properties of 4-[4-[bromo(fluoro)methyl]phenyl]-1,3-thiazole?
4-[4-[bromo(fluoro)methyl]phenyl]-1,3-thiazole has a molecular weight of 272.14 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[bromo(fluoro)methyl]phenyl]-1,3-thiazole is sourced from PubChem (CID 118663179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).