2-amino-4-(4-chlorophenyl)thiophene-3-carbonitrile

C11H7ClN2S — CID 15680187

IUPAC2-amino-4-(4-chlorophenyl)thiophene-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Cl)cc2)csc1N
InChIInChI=1S/C11H7ClN2S/c12-8-3-1-7(2-4-8)10-6-15-11(14)9(10)5-13/h1-4,6H,14H2
InChIKeyDENZDRMQVPFLLB-UHFFFAOYSA-N
MW234.71 g/mol
LogP3.52
Rot. Bonds1

About 2-amino-4-(4-chlorophenyl)thiophene-3-carbonitrile

2-amino-4-(4-chlorophenyl)thiophene-3-carbonitrile (PubChem CID 15680187) has the molecular formula C11H7ClN2S and a molecular weight of 234.71 g/mol. Its IUPAC name is 2-amino-4-(4-chlorophenyl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-chlorophenyl)thiophene-3-carbonitrile
PubChem CID15680187
Molecular FormulaC11H7ClN2S
Molecular Weight234.71 g/mol
Exact Mass234.00
IUPAC Name2-amino-4-(4-chlorophenyl)thiophene-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Cl)cc2)csc1N
InChIInChI=1S/C11H7ClN2S/c12-8-3-1-7(2-4-8)10-6-15-11(14)9(10)5-13/h1-4,6H,14H2
InChIKeyDENZDRMQVPFLLB-UHFFFAOYSA-N
XLogP3.52
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.71
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-chlorophenyl)thiophene-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-chlorophenyl)thiophene-3-carbonitrile (CID 15680187) is 2-amino-4-(4-chlorophenyl)thiophene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-chlorophenyl)thiophene-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-chlorophenyl)thiophene-3-carbonitrile is N#Cc1c(-c2ccc(Cl)cc2)csc1N.
What is the InChIKey of 2-amino-4-(4-chlorophenyl)thiophene-3-carbonitrile?
The InChIKey is DENZDRMQVPFLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2S/c12-8-3-1-7(2-4-8)10-6-15-11(14)9(10)5-13/h1-4,6H,14H2.
What are the key properties of 2-amino-4-(4-chlorophenyl)thiophene-3-carbonitrile?
2-amino-4-(4-chlorophenyl)thiophene-3-carbonitrile has a molecular weight of 234.71 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-chlorophenyl)thiophene-3-carbonitrile is sourced from PubChem (CID 15680187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).