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

C15H8ClFN2S2 — CID 62502229

IUPAC3-amino-5-(2-chloro-6-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile
SMILESN#Cc1sc(-c2c(F)cccc2Cl)c(-c2cccs2)c1N
InChIInChI=1S/C15H8ClFN2S2/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
InChIKeyAXWDRGGFFCVRKF-UHFFFAOYSA-N
MW334.83 g/mol
LogP5.39
Rot. Bonds2

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

3-amino-5-(2-chloro-6-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile (PubChem CID 62502229) has the molecular formula C15H8ClFN2S2 and a molecular weight of 334.83 g/mol. Its IUPAC name is 3-amino-5-(2-chloro-6-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(2-chloro-6-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile
PubChem CID62502229
Molecular FormulaC15H8ClFN2S2
Molecular Weight334.83 g/mol
Exact Mass333.98
IUPAC Name3-amino-5-(2-chloro-6-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile
SMILESN#Cc1sc(-c2c(F)cccc2Cl)c(-c2cccs2)c1N
InChIInChI=1S/C15H8ClFN2S2/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
InChIKeyAXWDRGGFFCVRKF-UHFFFAOYSA-N
XLogP5.39
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.83
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Amino-3-(4-chlorophenyl)thieno[2,3-b]thiophene-2,5-dicarbonitrile
CID 2820135
3-Amino-5-(2-chloro-4-fluorophenyl)-4-ethylthiophene-2-carbonitrile
CID 61776695
3-Amino-5-(4-chloro-2-fluorophenyl)-4-ethylthiophene-2-carbonitrile
CID 61776910
3-Amino-5-(2-chloro-6-fluorophenyl)thiophene-2-carbonitrile
CID 61777730
3-Amino-5-(5-chloro-2-fluorophenyl)thiophene-2-carbonitrile
CID 61778143
3-Amino-5-(2-chloro-6-fluorophenyl)-4-methylthiophene-2-carbonitrile
CID 61778154
3-Amino-5-(5-chloro-2-fluorophenyl)-4-methylthiophene-2-carbonitrile
CID 61778588
3-Amino-5-(4-chloro-2-fluorophenyl)thiophene-2-carbonitrile
CID 61778788
3-Amino-5-(2-chloro-4-fluorophenyl)thiophene-2-carbonitrile
CID 61778789
3-Amino-5-(2-chloro-4-fluorophenyl)-4-methylthiophene-2-carbonitrile
CID 61778999
3-Amino-5-(2-chloro-6-fluorophenyl)-4-ethylthiophene-2-carbonitrile
CID 61779010
3-Amino-5-(4-chloro-2-fluorophenyl)-4-methylthiophene-2-carbonitrile
CID 61779394

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-chloro-6-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-(2-chloro-6-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile (CID 62502229) is 3-amino-5-(2-chloro-6-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-(2-chloro-6-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-(2-chloro-6-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile is N#Cc1sc(-c2c(F)cccc2Cl)c(-c2cccs2)c1N.
What is the InChIKey of 3-amino-5-(2-chloro-6-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile?
The InChIKey is AXWDRGGFFCVRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClFN2S2/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-chloro-6-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile?
3-amino-5-(2-chloro-6-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile has a molecular weight of 334.83 g/mol, XLogP of 5.39, 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-chloro-6-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile is sourced from PubChem (CID 62502229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).