5-amino-4-cyano-N-ethyl-3-methylthiophene-2-carboxamide

C9H11N3OS — CID 64975329

IUPAC5-amino-4-cyano-N-ethyl-3-methylthiophene-2-carboxamide
SMILESCCNC(=O)c1sc(N)c(C#N)c1C
InChIInChI=1S/C9H11N3OS/c1-3-12-9(13)7-5(2)6(4-10)8(11)14-7/h3,11H2,1-2H3,(H,12,13)
InChIKeyWHGFEEIURURBAZ-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.26
Rot. Bonds2

About 5-amino-4-cyano-N-ethyl-3-methylthiophene-2-carboxamide

5-amino-4-cyano-N-ethyl-3-methylthiophene-2-carboxamide (PubChem CID 64975329) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 5-amino-4-cyano-N-ethyl-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-amino-4-cyano-N-ethyl-3-methylthiophene-2-carboxamide
PubChem CID64975329
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name5-amino-4-cyano-N-ethyl-3-methylthiophene-2-carboxamide
SMILESCCNC(=O)c1sc(N)c(C#N)c1C
InChIInChI=1S/C9H11N3OS/c1-3-12-9(13)7-5(2)6(4-10)8(11)14-7/h3,11H2,1-2H3,(H,12,13)
InChIKeyWHGFEEIURURBAZ-UHFFFAOYSA-N
XLogP1.26
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-cyano-N-ethyl-3-methylthiophene-2-carboxamide?
The IUPAC name of 5-amino-4-cyano-N-ethyl-3-methylthiophene-2-carboxamide (CID 64975329) is 5-amino-4-cyano-N-ethyl-3-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-amino-4-cyano-N-ethyl-3-methylthiophene-2-carboxamide?
The canonical SMILES for 5-amino-4-cyano-N-ethyl-3-methylthiophene-2-carboxamide is CCNC(=O)c1sc(N)c(C#N)c1C.
What is the InChIKey of 5-amino-4-cyano-N-ethyl-3-methylthiophene-2-carboxamide?
The InChIKey is WHGFEEIURURBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-3-12-9(13)7-5(2)6(4-10)8(11)14-7/h3,11H2,1-2H3,(H,12,13).
What are the key properties of 5-amino-4-cyano-N-ethyl-3-methylthiophene-2-carboxamide?
5-amino-4-cyano-N-ethyl-3-methylthiophene-2-carboxamide has a molecular weight of 209.27 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-cyano-N-ethyl-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 64975329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).