2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole

C10H7BrFNS — CID 82488398

IUPAC2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole
SMILESCc1csc(-c2ccc(F)c(Br)c2)n1
InChIInChI=1S/C10H7BrFNS/c1-6-5-14-10(13-6)7-2-3-9(12)8(11)4-7/h2-5H,1H3
InChIKeyLNNHTNUOQHGWCD-UHFFFAOYSA-N
MW272.14 g/mol
LogP4.02
Rot. Bonds1

About 2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole

2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole (PubChem CID 82488398) has the molecular formula C10H7BrFNS and a molecular weight of 272.14 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole
PubChem CID82488398
Molecular FormulaC10H7BrFNS
Molecular Weight272.14 g/mol
Exact Mass270.95
IUPAC Name2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole
SMILESCc1csc(-c2ccc(F)c(Br)c2)n1
InChIInChI=1S/C10H7BrFNS/c1-6-5-14-10(13-6)7-2-3-9(12)8(11)4-7/h2-5H,1H3
InChIKeyLNNHTNUOQHGWCD-UHFFFAOYSA-N
XLogP4.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole (CID 82488398) is 2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole is Cc1csc(-c2ccc(F)c(Br)c2)n1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole?
The InChIKey is LNNHTNUOQHGWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFNS/c1-6-5-14-10(13-6)7-2-3-9(12)8(11)4-7/h2-5H,1H3.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole?
2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole has a molecular weight of 272.14 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 82488398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).