5-(3-bromo-4-fluorophenyl)-2,4-dimethyl-1,3-thiazole

C11H9BrFNS — CID 70272956

IUPAC5-(3-bromo-4-fluorophenyl)-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(-c2ccc(F)c(Br)c2)s1
InChIInChI=1S/C11H9BrFNS/c1-6-11(15-7(2)14-6)8-3-4-10(13)9(12)5-8/h3-5H,1-2H3
InChIKeyZEEMASHGTDYXRM-UHFFFAOYSA-N
MW286.17 g/mol
LogP4.33
Rot. Bonds1

About 5-(3-bromo-4-fluorophenyl)-2,4-dimethyl-1,3-thiazole

5-(3-bromo-4-fluorophenyl)-2,4-dimethyl-1,3-thiazole (PubChem CID 70272956) has the molecular formula C11H9BrFNS and a molecular weight of 286.17 g/mol. Its IUPAC name is 5-(3-bromo-4-fluorophenyl)-2,4-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name5-(3-bromo-4-fluorophenyl)-2,4-dimethyl-1,3-thiazole
PubChem CID70272956
Molecular FormulaC11H9BrFNS
Molecular Weight286.17 g/mol
Exact Mass284.96
IUPAC Name5-(3-bromo-4-fluorophenyl)-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(-c2ccc(F)c(Br)c2)s1
InChIInChI=1S/C11H9BrFNS/c1-6-11(15-7(2)14-6)8-3-4-10(13)9(12)5-8/h3-5H,1-2H3
InChIKeyZEEMASHGTDYXRM-UHFFFAOYSA-N
XLogP4.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-4-fluorophenyl)-2,4-dimethyl-1,3-thiazole?
The IUPAC name of 5-(3-bromo-4-fluorophenyl)-2,4-dimethyl-1,3-thiazole (CID 70272956) is 5-(3-bromo-4-fluorophenyl)-2,4-dimethyl-1,3-thiazole.
What is the SMILES notation for 5-(3-bromo-4-fluorophenyl)-2,4-dimethyl-1,3-thiazole?
The canonical SMILES for 5-(3-bromo-4-fluorophenyl)-2,4-dimethyl-1,3-thiazole is Cc1nc(C)c(-c2ccc(F)c(Br)c2)s1.
What is the InChIKey of 5-(3-bromo-4-fluorophenyl)-2,4-dimethyl-1,3-thiazole?
The InChIKey is ZEEMASHGTDYXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFNS/c1-6-11(15-7(2)14-6)8-3-4-10(13)9(12)5-8/h3-5H,1-2H3.
What are the key properties of 5-(3-bromo-4-fluorophenyl)-2,4-dimethyl-1,3-thiazole?
5-(3-bromo-4-fluorophenyl)-2,4-dimethyl-1,3-thiazole has a molecular weight of 286.17 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-4-fluorophenyl)-2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 70272956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).