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

C10H4BrFN2S — CID 116867007

IUPAC4-(5-bromo-2-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESN#Cc1scnc1-c1cc(Br)ccc1F
InChIInChI=1S/C10H4BrFN2S/c11-6-1-2-8(12)7(3-6)10-9(4-13)15-5-14-10/h1-3,5H
InChIKeyNYHDYAOTZLBXOS-UHFFFAOYSA-N
MW283.12 g/mol
LogP3.58
Rot. Bonds1

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

4-(5-bromo-2-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 116867007) has the molecular formula C10H4BrFN2S and a molecular weight of 283.12 g/mol. Its IUPAC name is 4-(5-bromo-2-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-(5-bromo-2-fluorophenyl)-1,3-thiazole-5-carbonitrile
PubChem CID116867007
Molecular FormulaC10H4BrFN2S
Molecular Weight283.12 g/mol
Exact Mass281.93
IUPAC Name4-(5-bromo-2-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESN#Cc1scnc1-c1cc(Br)ccc1F
InChIInChI=1S/C10H4BrFN2S/c11-6-1-2-8(12)7(3-6)10-9(4-13)15-5-14-10/h1-3,5H
InChIKeyNYHDYAOTZLBXOS-UHFFFAOYSA-N
XLogP3.58
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-bromo-2-fluorophenyl)-1,2-oxazole-3-carbonitrile
CID 116858941
2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]acetonitrile
CID 82967172
2-(5-bromo-2-fluorophenyl)-3,5-difluorobenzonitrile
CID 22329562
2-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile
CID 116854123
2-(5-bromo-2-fluorophenyl)-3H-benzimidazole-5-carbonitrile
CID 78908153
1-[4-(5-bromo-2-fluorophenyl)thiadiazol-5-yl]-N-methylmethanamine
CID 82973605
1-[4-(5-bromo-2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone
CID 116867527
4-(5-bromo-2-fluorophenyl)-6-chloro-2,5-dimethylpyrimidine
CID 79742433
2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-ol
CID 116889834
2-(5-bromo-2-fluorophenyl)-4-chloro-1,3-thiazole
CID 83158213
2-[[5-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]amino]acetonitrile
CID 116975651
1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114895190

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-(5-bromo-2-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 116867007) is 4-(5-bromo-2-fluorophenyl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-(5-bromo-2-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-(5-bromo-2-fluorophenyl)-1,3-thiazole-5-carbonitrile is N#Cc1scnc1-c1cc(Br)ccc1F.
What is the InChIKey of 4-(5-bromo-2-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is NYHDYAOTZLBXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrFN2S/c11-6-1-2-8(12)7(3-6)10-9(4-13)15-5-14-10/h1-3,5H.
What are the key properties of 4-(5-bromo-2-fluorophenyl)-1,3-thiazole-5-carbonitrile?
4-(5-bromo-2-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 283.12 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 116867007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).