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

C7H7N3OS — CID 3773498

IUPAC5-amino-4-cyano-3-methylthiophene-2-carboxamide
SMILESCc1c(C(N)=O)sc(N)c1C#N
InChIInChI=1S/C7H7N3OS/c1-3-4(2-8)7(10)12-5(3)6(9)11/h10H2,1H3,(H2,9,11)
InChIKeyDZIJAMQPHHDKAM-UHFFFAOYSA-N
MW181.22 g/mol
LogP0.61
Rot. Bonds1

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

5-amino-4-cyano-3-methylthiophene-2-carboxamide (PubChem CID 3773498) has the molecular formula C7H7N3OS and a molecular weight of 181.22 g/mol. Its IUPAC name is 5-amino-4-cyano-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-amino-4-cyano-3-methylthiophene-2-carboxamide
PubChem CID3773498
Molecular FormulaC7H7N3OS
Molecular Weight181.22 g/mol
Exact Mass181.03
IUPAC Name5-amino-4-cyano-3-methylthiophene-2-carboxamide
SMILESCc1c(C(N)=O)sc(N)c1C#N
InChIInChI=1S/C7H7N3OS/c1-3-4(2-8)7(10)12-5(3)6(9)11/h10H2,1H3,(H2,9,11)
InChIKeyDZIJAMQPHHDKAM-UHFFFAOYSA-N
XLogP0.61
TPSA92.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 50.61
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-3-methylthiophene-2-carboxamide?
The IUPAC name of 5-amino-4-cyano-3-methylthiophene-2-carboxamide (CID 3773498) is 5-amino-4-cyano-3-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-amino-4-cyano-3-methylthiophene-2-carboxamide?
The canonical SMILES for 5-amino-4-cyano-3-methylthiophene-2-carboxamide is Cc1c(C(N)=O)sc(N)c1C#N.
What is the InChIKey of 5-amino-4-cyano-3-methylthiophene-2-carboxamide?
The InChIKey is DZIJAMQPHHDKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3OS/c1-3-4(2-8)7(10)12-5(3)6(9)11/h10H2,1H3,(H2,9,11).
What are the key properties of 5-amino-4-cyano-3-methylthiophene-2-carboxamide?
5-amino-4-cyano-3-methylthiophene-2-carboxamide has a molecular weight of 181.22 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-cyano-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 3773498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).