5-acetyl-4-amino-2-(ethylamino)thiophene-3-carbonitrile

C9H11N3OS — CID 911669

IUPAC5-acetyl-4-amino-2-(ethylamino)thiophene-3-carbonitrile
SMILESCCNc1sc(C(C)=O)c(N)c1C#N
InChIInChI=1S/C9H11N3OS/c1-3-12-9-6(4-10)7(11)8(14-9)5(2)13/h12H,3,11H2,1-2H3
InChIKeyPAHCLDGEJTYDHG-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.84
Rot. Bonds3

About 5-acetyl-4-amino-2-(ethylamino)thiophene-3-carbonitrile

5-acetyl-4-amino-2-(ethylamino)thiophene-3-carbonitrile (PubChem CID 911669) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 5-acetyl-4-amino-2-(ethylamino)thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-acetyl-4-amino-2-(ethylamino)thiophene-3-carbonitrile
PubChem CID911669
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name5-acetyl-4-amino-2-(ethylamino)thiophene-3-carbonitrile
SMILESCCNc1sc(C(C)=O)c(N)c1C#N
InChIInChI=1S/C9H11N3OS/c1-3-12-9-6(4-10)7(11)8(14-9)5(2)13/h12H,3,11H2,1-2H3
InChIKeyPAHCLDGEJTYDHG-UHFFFAOYSA-N
XLogP1.84
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-amino-2-(ethylamino)thiophene-3-carbonitrile?
The IUPAC name of 5-acetyl-4-amino-2-(ethylamino)thiophene-3-carbonitrile (CID 911669) is 5-acetyl-4-amino-2-(ethylamino)thiophene-3-carbonitrile.
What is the SMILES notation for 5-acetyl-4-amino-2-(ethylamino)thiophene-3-carbonitrile?
The canonical SMILES for 5-acetyl-4-amino-2-(ethylamino)thiophene-3-carbonitrile is CCNc1sc(C(C)=O)c(N)c1C#N.
What is the InChIKey of 5-acetyl-4-amino-2-(ethylamino)thiophene-3-carbonitrile?
The InChIKey is PAHCLDGEJTYDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-3-12-9-6(4-10)7(11)8(14-9)5(2)13/h12H,3,11H2,1-2H3.
What are the key properties of 5-acetyl-4-amino-2-(ethylamino)thiophene-3-carbonitrile?
5-acetyl-4-amino-2-(ethylamino)thiophene-3-carbonitrile has a molecular weight of 209.27 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-amino-2-(ethylamino)thiophene-3-carbonitrile is sourced from PubChem (CID 911669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).