N-(3-cyanothiophen-2-yl)acetamide

C7H6N2OS — CID 676450

IUPACN-(3-cyanothiophen-2-yl)acetamide
SMILESCC(=O)Nc1sccc1C#N
InChIInChI=1S/C7H6N2OS/c1-5(10)9-7-6(4-8)2-3-11-7/h2-3H,1H3,(H,9,10)
InChIKeyISSDPIIIRFZTAU-UHFFFAOYSA-N
MW166.20 g/mol
LogP1.58
Rot. Bonds1

About N-(3-cyanothiophen-2-yl)acetamide

N-(3-cyanothiophen-2-yl)acetamide (PubChem CID 676450) has the molecular formula C7H6N2OS and a molecular weight of 166.20 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)acetamide
PubChem CID676450
Molecular FormulaC7H6N2OS
Molecular Weight166.20 g/mol
Exact Mass166.02
IUPAC NameN-(3-cyanothiophen-2-yl)acetamide
SMILESCC(=O)Nc1sccc1C#N
InChIInChI=1S/C7H6N2OS/c1-5(10)9-7-6(4-8)2-3-11-7/h2-3H,1H3,(H,9,10)
InChIKeyISSDPIIIRFZTAU-UHFFFAOYSA-N
XLogP1.58
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)acetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)acetamide (CID 676450) is N-(3-cyanothiophen-2-yl)acetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)acetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)acetamide is CC(=O)Nc1sccc1C#N.
What is the InChIKey of N-(3-cyanothiophen-2-yl)acetamide?
The InChIKey is ISSDPIIIRFZTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS/c1-5(10)9-7-6(4-8)2-3-11-7/h2-3H,1H3,(H,9,10).
What are the key properties of N-(3-cyanothiophen-2-yl)acetamide?
N-(3-cyanothiophen-2-yl)acetamide has a molecular weight of 166.20 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)acetamide is sourced from PubChem (CID 676450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).