3-amino-5-(2-bromo-6-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile

C15H8BrFN2S2 — CID 114560877

IUPAC3-amino-5-(2-bromo-6-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile
SMILESN#Cc1sc(-c2c(F)cccc2Br)c(-c2cccs2)c1N
InChIInChI=1S/C15H8BrFN2S2/c16-8-3-1-4-9(17)12(8)15-13(10-5-2-6-20-10)14(19)11(7-18)21-15/h1-6H,19H2
InChIKeyKWDDMDQALIDNQS-UHFFFAOYSA-N
MW379.28 g/mol
LogP5.50
Rot. Bonds2

About 3-amino-5-(2-bromo-6-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile

3-amino-5-(2-bromo-6-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile (PubChem CID 114560877) has the molecular formula C15H8BrFN2S2 and a molecular weight of 379.28 g/mol. Its IUPAC name is 3-amino-5-(2-bromo-6-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(2-bromo-6-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile
PubChem CID114560877
Molecular FormulaC15H8BrFN2S2
Molecular Weight379.28 g/mol
Exact Mass377.93
IUPAC Name3-amino-5-(2-bromo-6-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile
SMILESN#Cc1sc(-c2c(F)cccc2Br)c(-c2cccs2)c1N
InChIInChI=1S/C15H8BrFN2S2/c16-8-3-1-4-9(17)12(8)15-13(10-5-2-6-20-10)14(19)11(7-18)21-15/h1-6H,19H2
InChIKeyKWDDMDQALIDNQS-UHFFFAOYSA-N
XLogP5.50
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.28
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-(3-bromophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile
CID 62502909
3-amino-5-(4-fluoro-3-methylphenyl)-4-thiophen-2-ylthiophene-2-carbonitrile
CID 63211779
3-amino-5-(5-methylthiophen-2-yl)-4-thiophen-2-ylthiophene-2-carbonitrile
CID 62502736
3-amino-5-(5-chloro-2-methylphenyl)-4-thiophen-2-ylthiophene-2-carbonitrile
CID 82875189
3-amino-5-(3-chloro-4-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile
CID 82876042
3-amino-5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-ylthiophene-2-carbonitrile
CID 62501566
3-amino-4-propyl-5-thiophen-2-ylthiophene-2-carbonitrile
CID 79412369
methyl 3-amino-5-(2-bromo-6-fluorophenyl)-4-methylthiophene-2-carboxylate
CID 114560082
2-bromo-5-(3-bromothiophen-2-yl)-3,4-dithiophen-2-ylthiophene
CID 21459339
2-(2,6-dimethylphenyl)thiophene
CID 58838883
2-thiophen-2-ylbenzene-1,3-diamine
CID 69383856
3-amino-5-(3-ethylthiophen-2-yl)-4-phenylthiophene-2-carbonitrile
CID 79975065

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-bromo-6-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-(2-bromo-6-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile (CID 114560877) is 3-amino-5-(2-bromo-6-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-(2-bromo-6-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-(2-bromo-6-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile is N#Cc1sc(-c2c(F)cccc2Br)c(-c2cccs2)c1N.
What is the InChIKey of 3-amino-5-(2-bromo-6-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile?
The InChIKey is KWDDMDQALIDNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrFN2S2/c16-8-3-1-4-9(17)12(8)15-13(10-5-2-6-20-10)14(19)11(7-18)21-15/h1-6H,19H2.
What are the key properties of 3-amino-5-(2-bromo-6-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile?
3-amino-5-(2-bromo-6-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile has a molecular weight of 379.28 g/mol, XLogP of 5.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-bromo-6-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile is sourced from PubChem (CID 114560877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).