4-(2-bromophenyl)-2-(trifluoromethyl)-1,3-thiazole

C10H5BrF3NS — CID 112700792

IUPAC4-(2-bromophenyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1nc(-c2ccccc2Br)cs1
InChIInChI=1S/C10H5BrF3NS/c11-7-4-2-1-3-6(7)8-5-16-9(15-8)10(12,13)14/h1-5H
InChIKeyFNBXDJLLODAACB-UHFFFAOYSA-N
MW308.12 g/mol
LogP4.59
Rot. Bonds1

About 4-(2-bromophenyl)-2-(trifluoromethyl)-1,3-thiazole

4-(2-bromophenyl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 112700792) has the molecular formula C10H5BrF3NS and a molecular weight of 308.12 g/mol. Its IUPAC name is 4-(2-bromophenyl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2-bromophenyl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID112700792
Molecular FormulaC10H5BrF3NS
Molecular Weight308.12 g/mol
Exact Mass306.93
IUPAC Name4-(2-bromophenyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1nc(-c2ccccc2Br)cs1
InChIInChI=1S/C10H5BrF3NS/c11-7-4-2-1-3-6(7)8-5-16-9(15-8)10(12,13)14/h1-5H
InChIKeyFNBXDJLLODAACB-UHFFFAOYSA-N
XLogP4.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.12
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 4-(2-bromophenyl)-2-(trifluoromethyl)-1,3-thiazole (CID 112700792) is 4-(2-bromophenyl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 4-(2-bromophenyl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 4-(2-bromophenyl)-2-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1nc(-c2ccccc2Br)cs1.
What is the InChIKey of 4-(2-bromophenyl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is FNBXDJLLODAACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF3NS/c11-7-4-2-1-3-6(7)8-5-16-9(15-8)10(12,13)14/h1-5H.
What are the key properties of 4-(2-bromophenyl)-2-(trifluoromethyl)-1,3-thiazole?
4-(2-bromophenyl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 308.12 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 112700792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).