4-cyanothiophene-2-carboxamide;ethane

C8H10N2OS — CID 170761979

IUPAC4-cyanothiophene-2-carboxamide;ethane
SMILESCC.N#Cc1csc(C(N)=O)c1
InChIInChI=1S/C6H4N2OS.C2H6/c7-2-4-1-5(6(8)9)10-3-4;1-2/h1,3H,(H2,8,9);1-2H3
InChIKeyGVQNZCWYHJHSBG-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.74
Rot. Bonds1

About 4-cyanothiophene-2-carboxamide;ethane

4-cyanothiophene-2-carboxamide;ethane (PubChem CID 170761979) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 4-cyanothiophene-2-carboxamide;ethane.

Molecular Properties

Compound Name4-cyanothiophene-2-carboxamide;ethane
PubChem CID170761979
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name4-cyanothiophene-2-carboxamide;ethane
SMILESCC.N#Cc1csc(C(N)=O)c1
InChIInChI=1S/C6H4N2OS.C2H6/c7-2-4-1-5(6(8)9)10-3-4;1-2/h1,3H,(H2,8,9);1-2H3
InChIKeyGVQNZCWYHJHSBG-UHFFFAOYSA-N
XLogP1.74
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(methylamino)acetyl]thiophene-3-carbonitrile
CID 82408925
N-[(2R)-butan-2-yl]-N-butyl-4-cyanothiophene-2-carboxamide
CID 97003299
N-(1-adamantyl)-4-cyano-N-(2-cyanoethyl)thiophene-2-carboxamide
CID 99823504
4-cyano-N-[(1S)-1-(3-hydroxyphenyl)ethyl]thiophene-2-carboxamide
CID 166233411
methyl N-(4-cyanothiophen-2-yl)carbamate
CID 174436437
2-N-[(4-cyanophenyl)methyl]-2-N-propan-2-ylthiophene-2,4-dicarboxamide
CID 86866343
methyl 2-[(4-chlorophenyl)methyl-(4-cyanothiophene-2-carbonyl)amino]acetate
CID 71859445
4-cyano-N-[3-(1-fluoroethyl)phenyl]thiophene-2-carboxamide
CID 166386867
4-cyano-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methylthiophene-2-carboxamide
CID 154840868
4-[(4-cyanothiophen-2-yl)methylamino]butanamide
CID 79613775
5-[4-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]thiophene-3-carbonitrile
CID 136530966
5-(1-hydroxy-2-methylpropyl)thiophene-3-carbonitrile
CID 22393666

Frequently Asked Questions

What is the IUPAC name of 4-cyanothiophene-2-carboxamide;ethane?
The IUPAC name of 4-cyanothiophene-2-carboxamide;ethane (CID 170761979) is 4-cyanothiophene-2-carboxamide;ethane.
What is the SMILES notation for 4-cyanothiophene-2-carboxamide;ethane?
The canonical SMILES for 4-cyanothiophene-2-carboxamide;ethane is CC.N#Cc1csc(C(N)=O)c1.
What is the InChIKey of 4-cyanothiophene-2-carboxamide;ethane?
The InChIKey is GVQNZCWYHJHSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2OS.C2H6/c7-2-4-1-5(6(8)9)10-3-4;1-2/h1,3H,(H2,8,9);1-2H3.
What are the key properties of 4-cyanothiophene-2-carboxamide;ethane?
4-cyanothiophene-2-carboxamide;ethane has a molecular weight of 182.25 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyanothiophene-2-carboxamide;ethane is sourced from PubChem (CID 170761979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).