2,5-dibromo-4-(2,3,4-trifluorophenyl)-1,3-thiazole

C9H2Br2F3NS — CID 165348130

IUPAC2,5-dibromo-4-(2,3,4-trifluorophenyl)-1,3-thiazole
SMILESFc1ccc(-c2nc(Br)sc2Br)c(F)c1F
InChIInChI=1S/C9H2Br2F3NS/c10-8-7(15-9(11)16-8)3-1-2-4(12)6(14)5(3)13/h1-2H
InChIKeyVGFBQIYDKWULMX-UHFFFAOYSA-N
MW372.99 g/mol
LogP4.75
Rot. Bonds1

About 2,5-dibromo-4-(2,3,4-trifluorophenyl)-1,3-thiazole

2,5-dibromo-4-(2,3,4-trifluorophenyl)-1,3-thiazole (PubChem CID 165348130) has the molecular formula C9H2Br2F3NS and a molecular weight of 372.99 g/mol. Its IUPAC name is 2,5-dibromo-4-(2,3,4-trifluorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name2,5-dibromo-4-(2,3,4-trifluorophenyl)-1,3-thiazole
PubChem CID165348130
Molecular FormulaC9H2Br2F3NS
Molecular Weight372.99 g/mol
Exact Mass370.82
IUPAC Name2,5-dibromo-4-(2,3,4-trifluorophenyl)-1,3-thiazole
SMILESFc1ccc(-c2nc(Br)sc2Br)c(F)c1F
InChIInChI=1S/C9H2Br2F3NS/c10-8-7(15-9(11)16-8)3-1-2-4(12)6(14)5(3)13/h1-2H
InChIKeyVGFBQIYDKWULMX-UHFFFAOYSA-N
XLogP4.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.99
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-bromo-3-(2,3,4-trifluorophenyl)pyrazin-2-amine
CID 87425040
1,2,3-trifluoro-4-[2-(2,3,4-trifluorophenyl)phenyl]benzene
CID 123622255
5-methyl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-amine
CID 107935845
1-(2,4-difluorophenyl)-2,3,4-trifluorobenzene
CID 90766512
5-bromo-1-methyl-3-(2,3,4-trifluorophenyl)pyrazole-4-carbaldehyde
CID 87405001
2-bromo-3-ethyl-6-methyl-4-(2,3,4-trifluorophenyl)pyridine
CID 175249853
(E)-3-[2-methyl-4-(2,3,4-trifluorophenyl)-1,3-thiazol-5-yl]but-2-enoic acid
CID 110447102
4,6-dibromo-2-(2-bromo-3,4-difluorophenyl)pyrimidine
CID 107537902
1,2,4,5-tetrafluoro-3-(2,3,4-trifluorophenyl)benzene
CID 164665926
[4-methyl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-5-yl]methanamine
CID 107935513
2-(2,3,4-trifluorophenyl)-1,3-benzoxazole
CID 22625179
2-(2,3,4-trifluorophenyl)-1,3,5-triazine
CID 175245478

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-4-(2,3,4-trifluorophenyl)-1,3-thiazole?
The IUPAC name of 2,5-dibromo-4-(2,3,4-trifluorophenyl)-1,3-thiazole (CID 165348130) is 2,5-dibromo-4-(2,3,4-trifluorophenyl)-1,3-thiazole.
What is the SMILES notation for 2,5-dibromo-4-(2,3,4-trifluorophenyl)-1,3-thiazole?
The canonical SMILES for 2,5-dibromo-4-(2,3,4-trifluorophenyl)-1,3-thiazole is Fc1ccc(-c2nc(Br)sc2Br)c(F)c1F.
What is the InChIKey of 2,5-dibromo-4-(2,3,4-trifluorophenyl)-1,3-thiazole?
The InChIKey is VGFBQIYDKWULMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H2Br2F3NS/c10-8-7(15-9(11)16-8)3-1-2-4(12)6(14)5(3)13/h1-2H.
What are the key properties of 2,5-dibromo-4-(2,3,4-trifluorophenyl)-1,3-thiazole?
2,5-dibromo-4-(2,3,4-trifluorophenyl)-1,3-thiazole has a molecular weight of 372.99 g/mol, XLogP of 4.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-4-(2,3,4-trifluorophenyl)-1,3-thiazole is sourced from PubChem (CID 165348130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).