3-amino-5-phenylthiophene-2,4-dicarbonitrile

C12H7N3S — CID 15688476

IUPAC3-amino-5-phenylthiophene-2,4-dicarbonitrile
SMILESN#Cc1sc(-c2ccccc2)c(C#N)c1N
InChIInChI=1S/C12H7N3S/c13-6-9-11(15)10(7-14)16-12(9)8-4-2-1-3-5-8/h1-5H,15H2
InChIKeyXMGZBJJFBKPCHR-UHFFFAOYSA-N
MW225.28 g/mol
LogP2.74
Rot. Bonds1

About 3-amino-5-phenylthiophene-2,4-dicarbonitrile

3-amino-5-phenylthiophene-2,4-dicarbonitrile (PubChem CID 15688476) has the molecular formula C12H7N3S and a molecular weight of 225.28 g/mol. Its IUPAC name is 3-amino-5-phenylthiophene-2,4-dicarbonitrile.

Molecular Properties

Compound Name3-amino-5-phenylthiophene-2,4-dicarbonitrile
PubChem CID15688476
Molecular FormulaC12H7N3S
Molecular Weight225.28 g/mol
Exact Mass225.04
IUPAC Name3-amino-5-phenylthiophene-2,4-dicarbonitrile
SMILESN#Cc1sc(-c2ccccc2)c(C#N)c1N
InChIInChI=1S/C12H7N3S/c13-6-9-11(15)10(7-14)16-12(9)8-4-2-1-3-5-8/h1-5H,15H2
InChIKeyXMGZBJJFBKPCHR-UHFFFAOYSA-N
XLogP2.74
TPSA73.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-phenylthiophene-2,4-dicarbonitrile?
The IUPAC name of 3-amino-5-phenylthiophene-2,4-dicarbonitrile (CID 15688476) is 3-amino-5-phenylthiophene-2,4-dicarbonitrile.
What is the SMILES notation for 3-amino-5-phenylthiophene-2,4-dicarbonitrile?
The canonical SMILES for 3-amino-5-phenylthiophene-2,4-dicarbonitrile is N#Cc1sc(-c2ccccc2)c(C#N)c1N.
What is the InChIKey of 3-amino-5-phenylthiophene-2,4-dicarbonitrile?
The InChIKey is XMGZBJJFBKPCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3S/c13-6-9-11(15)10(7-14)16-12(9)8-4-2-1-3-5-8/h1-5H,15H2.
What are the key properties of 3-amino-5-phenylthiophene-2,4-dicarbonitrile?
3-amino-5-phenylthiophene-2,4-dicarbonitrile has a molecular weight of 225.28 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-phenylthiophene-2,4-dicarbonitrile is sourced from PubChem (CID 15688476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).