N-(dicyanomethyl)thiophene-2-carboxamide

C8H5N3OS — CID 22299074

IUPACN-(dicyanomethyl)thiophene-2-carboxamide
SMILESN#CC(C#N)NC(=O)c1cccs1
InChIInChI=1S/C8H5N3OS/c9-4-6(5-10)11-8(12)7-2-1-3-13-7/h1-3,6H,(H,11,12)
InChIKeyGPYLHDWCNGKZDL-UHFFFAOYSA-N
MW191.22 g/mol
LogP0.89
Rot. Bonds2

About N-(dicyanomethyl)thiophene-2-carboxamide

N-(dicyanomethyl)thiophene-2-carboxamide (PubChem CID 22299074) has the molecular formula C8H5N3OS and a molecular weight of 191.22 g/mol. Its IUPAC name is N-(dicyanomethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(dicyanomethyl)thiophene-2-carboxamide
PubChem CID22299074
Molecular FormulaC8H5N3OS
Molecular Weight191.22 g/mol
Exact Mass191.02
IUPAC NameN-(dicyanomethyl)thiophene-2-carboxamide
SMILESN#CC(C#N)NC(=O)c1cccs1
InChIInChI=1S/C8H5N3OS/c9-4-6(5-10)11-8(12)7-2-1-3-13-7/h1-3,6H,(H,11,12)
InChIKeyGPYLHDWCNGKZDL-UHFFFAOYSA-N
XLogP0.89
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-cyanopropyl]thiophene-2-carboxamide
CID 130638279
N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 130174839
3-amino-3-(thiophene-2-carbonylamino)propanoic acid
CID 67329386
N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]thiophene-2-carboxamide
CID 794769
methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387
N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide
CID 81041290
N-(2-cyanoethyl)thiophene-2-carboxamide
CID 60656092
(2R)-3-sulfanyl-2-(thiophene-2-carbonylamino)propanoic acid
CID 54554377
2-(thiophene-2-carbonylamino)butanedioic acid
CID 18517511
N-sulfanylthiophene-2-carboxamide
CID 87476143
N-[2-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide
CID 2837035
3-methyl-2-(thiophene-2-carbonylamino)butanoate
CID 4067887

Frequently Asked Questions

What is the IUPAC name of N-(dicyanomethyl)thiophene-2-carboxamide?
The IUPAC name of N-(dicyanomethyl)thiophene-2-carboxamide (CID 22299074) is N-(dicyanomethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(dicyanomethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(dicyanomethyl)thiophene-2-carboxamide is N#CC(C#N)NC(=O)c1cccs1.
What is the InChIKey of N-(dicyanomethyl)thiophene-2-carboxamide?
The InChIKey is GPYLHDWCNGKZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3OS/c9-4-6(5-10)11-8(12)7-2-1-3-13-7/h1-3,6H,(H,11,12).
What are the key properties of N-(dicyanomethyl)thiophene-2-carboxamide?
N-(dicyanomethyl)thiophene-2-carboxamide has a molecular weight of 191.22 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyanomethyl)thiophene-2-carboxamide is sourced from PubChem (CID 22299074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).