3-bromo-5-phenyl-1,2-thiazole-4-carbonitrile

C10H5BrN2S — CID 11140016

IUPAC3-bromo-5-phenyl-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(Br)nsc1-c1ccccc1
InChIInChI=1S/C10H5BrN2S/c11-10-8(6-12)9(14-13-10)7-4-2-1-3-5-7/h1-5H
InChIKeyBOQCYCFKZKYPBH-UHFFFAOYSA-N
MW265.14 g/mol
LogP3.44
Rot. Bonds1

About 3-bromo-5-phenyl-1,2-thiazole-4-carbonitrile

3-bromo-5-phenyl-1,2-thiazole-4-carbonitrile (PubChem CID 11140016) has the molecular formula C10H5BrN2S and a molecular weight of 265.14 g/mol. Its IUPAC name is 3-bromo-5-phenyl-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-bromo-5-phenyl-1,2-thiazole-4-carbonitrile
PubChem CID11140016
Molecular FormulaC10H5BrN2S
Molecular Weight265.14 g/mol
Exact Mass263.94
IUPAC Name3-bromo-5-phenyl-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(Br)nsc1-c1ccccc1
InChIInChI=1S/C10H5BrN2S/c11-10-8(6-12)9(14-13-10)7-4-2-1-3-5-7/h1-5H
InChIKeyBOQCYCFKZKYPBH-UHFFFAOYSA-N
XLogP3.44
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyanomethylsulfanyl)-5-phenyl-1,2-thiazole-4-carbonitrile
CID 5271969
3-(butylamino)-5-phenyl-1,2-thiazole-4-carbonitrile
CID 86278738
3-bromo-5-(2-hydroxyanilino)-1,2-thiazole-4-carbonitrile
CID 23792210
3-chloro-5-pyridin-3-yl-1,2-thiazole-4-carbonitrile
CID 86767902
3-chloro-5-(3-methylphenyl)-1,2-thiazole-4-carbonitrile
CID 10988209
5-phenyl-3-sulfanylidene-1,2-thiazole-4-carbonitrile
CID 3006546
3,6-diphenylbenzene-1,2-dicarbonitrile
CID 10945840
3-phenyl-1,2,4-thiadiazole-5-carbonitrile
CID 15394762
3,5-diphenyl-1,2-thiazol-4-ol
CID 10198936
4-bromo-2-methyl-5-phenyl-1,3-thiazole
CID 86189921
2-(methylamino)-4,5-diphenylthiophene-3-carbonitrile
CID 146395997
methyl 4-cyano-3-hydroxy-5-phenylthiophene-2-carboxylate
CID 82372049

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-phenyl-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-bromo-5-phenyl-1,2-thiazole-4-carbonitrile (CID 11140016) is 3-bromo-5-phenyl-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-bromo-5-phenyl-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-bromo-5-phenyl-1,2-thiazole-4-carbonitrile is N#Cc1c(Br)nsc1-c1ccccc1.
What is the InChIKey of 3-bromo-5-phenyl-1,2-thiazole-4-carbonitrile?
The InChIKey is BOQCYCFKZKYPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrN2S/c11-10-8(6-12)9(14-13-10)7-4-2-1-3-5-7/h1-5H.
What are the key properties of 3-bromo-5-phenyl-1,2-thiazole-4-carbonitrile?
3-bromo-5-phenyl-1,2-thiazole-4-carbonitrile has a molecular weight of 265.14 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-phenyl-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 11140016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).