2-cyano-3-thiophen-2-ylprop-2-enamide

C8H6N2OS — CID 2806450

IUPAC2-cyano-3-thiophen-2-ylprop-2-enamide
SMILESN#CC(=Cc1cccs1)C(N)=O
InChIInChI=1S/C8H6N2OS/c9-5-6(8(10)11)4-7-2-1-3-12-7/h1-4H,(H2,10,11)
InChIKeyBTCIBXVDLXOYIT-UHFFFAOYSA-N
MW178.22 g/mol
LogP1.14
Rot. Bonds2

About 2-cyano-3-thiophen-2-ylprop-2-enamide

2-cyano-3-thiophen-2-ylprop-2-enamide (PubChem CID 2806450) has the molecular formula C8H6N2OS and a molecular weight of 178.22 g/mol. Its IUPAC name is 2-cyano-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name2-cyano-3-thiophen-2-ylprop-2-enamide
PubChem CID2806450
Molecular FormulaC8H6N2OS
Molecular Weight178.22 g/mol
Exact Mass178.02
IUPAC Name2-cyano-3-thiophen-2-ylprop-2-enamide
SMILESN#CC(=Cc1cccs1)C(N)=O
InChIInChI=1S/C8H6N2OS/c9-5-6(8(10)11)4-7-2-1-3-12-7/h1-4H,(H2,10,11)
InChIKeyBTCIBXVDLXOYIT-UHFFFAOYSA-N
XLogP1.14
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-3-thiophen-2-ylprop-2-enenitrile
CID 76317242
3-(5-Chloro-2-thienyl)-2-cyanoacrylamide
CID 1225213
(2E)-2-cyano-3-(thiophen-2-yl)prop-2-enamide
CID 730848
(2E)-3-(5-bromothiophen-2-yl)-2-cyanoprop-2-enamide
CID 772375
(E)-3-(3-bromothiophen-2-yl)-2-cyanoprop-2-enamide
CID 57395932
3-(2-Thienyl)acrylamide
CID 91211
(2E)-3-(Thiophen-2-YL)prop-2-enamide
CID 5399085
2-Cyano-3-(thiophen-3-yl)prop-2-enamide
CID 5782810
2-Acetyl-3-(2-thienyl)acrylonitrile
CID 5716377
fluoro (E)-2-cyano-3-thiophen-2-ylprop-2-enoate
CID 172605338
(2Z)-2-cyano-3-(5-methyl(2-thienyl))prop-2-enamide
CID 679432
(2z,4e)-2-Cyano-3,5-bis(methylsulfanyl)-5-(2-thienyl)-penta-2,4-dienoic acid amide
CID 156025361

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of 2-cyano-3-thiophen-2-ylprop-2-enamide (CID 2806450) is 2-cyano-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for 2-cyano-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for 2-cyano-3-thiophen-2-ylprop-2-enamide is N#CC(=Cc1cccs1)C(N)=O.
What is the InChIKey of 2-cyano-3-thiophen-2-ylprop-2-enamide?
The InChIKey is BTCIBXVDLXOYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2OS/c9-5-6(8(10)11)4-7-2-1-3-12-7/h1-4H,(H2,10,11).
What are the key properties of 2-cyano-3-thiophen-2-ylprop-2-enamide?
2-cyano-3-thiophen-2-ylprop-2-enamide has a molecular weight of 178.22 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 2806450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).