5-amino-3-(4-chlorophenyl)thiophene-2,4-dicarbonitrile

C12H6ClN3S — CID 15732735

IUPAC5-amino-3-(4-chlorophenyl)thiophene-2,4-dicarbonitrile
SMILESN#Cc1sc(N)c(C#N)c1-c1ccc(Cl)cc1
InChIInChI=1S/C12H6ClN3S/c13-8-3-1-7(2-4-8)11-9(5-14)12(16)17-10(11)6-15/h1-4H,16H2
InChIKeyXLGWEWAZMDKILM-UHFFFAOYSA-N
MW259.72 g/mol
LogP3.39
Rot. Bonds1

About 5-amino-3-(4-chlorophenyl)thiophene-2,4-dicarbonitrile

5-amino-3-(4-chlorophenyl)thiophene-2,4-dicarbonitrile (PubChem CID 15732735) has the molecular formula C12H6ClN3S and a molecular weight of 259.72 g/mol. Its IUPAC name is 5-amino-3-(4-chlorophenyl)thiophene-2,4-dicarbonitrile.

Molecular Properties

Compound Name5-amino-3-(4-chlorophenyl)thiophene-2,4-dicarbonitrile
PubChem CID15732735
Molecular FormulaC12H6ClN3S
Molecular Weight259.72 g/mol
Exact Mass259.00
IUPAC Name5-amino-3-(4-chlorophenyl)thiophene-2,4-dicarbonitrile
SMILESN#Cc1sc(N)c(C#N)c1-c1ccc(Cl)cc1
InChIInChI=1S/C12H6ClN3S/c13-8-3-1-7(2-4-8)11-9(5-14)12(16)17-10(11)6-15/h1-4H,16H2
InChIKeyXLGWEWAZMDKILM-UHFFFAOYSA-N
XLogP3.39
TPSA73.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.72
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(4-chlorophenyl)thiophene-2,4-dicarbonitrile?
The IUPAC name of 5-amino-3-(4-chlorophenyl)thiophene-2,4-dicarbonitrile (CID 15732735) is 5-amino-3-(4-chlorophenyl)thiophene-2,4-dicarbonitrile.
What is the SMILES notation for 5-amino-3-(4-chlorophenyl)thiophene-2,4-dicarbonitrile?
The canonical SMILES for 5-amino-3-(4-chlorophenyl)thiophene-2,4-dicarbonitrile is N#Cc1sc(N)c(C#N)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-amino-3-(4-chlorophenyl)thiophene-2,4-dicarbonitrile?
The InChIKey is XLGWEWAZMDKILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClN3S/c13-8-3-1-7(2-4-8)11-9(5-14)12(16)17-10(11)6-15/h1-4H,16H2.
What are the key properties of 5-amino-3-(4-chlorophenyl)thiophene-2,4-dicarbonitrile?
5-amino-3-(4-chlorophenyl)thiophene-2,4-dicarbonitrile has a molecular weight of 259.72 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(4-chlorophenyl)thiophene-2,4-dicarbonitrile is sourced from PubChem (CID 15732735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).