3-(4-bromothiophen-2-yl)prop-2-enamide

C7H6BrNOS — CID 57081671

IUPAC3-(4-bromothiophen-2-yl)prop-2-enamide
SMILESNC(=O)C=Cc1cc(Br)cs1
InChIInChI=1S/C7H6BrNOS/c8-5-3-6(11-4-5)1-2-7(9)10/h1-4H,(H2,9,10)
InChIKeyMZDIVBFSTBBFEI-UHFFFAOYSA-N
MW232.10 g/mol
LogP2.01
Rot. Bonds2

About 3-(4-bromothiophen-2-yl)prop-2-enamide

3-(4-bromothiophen-2-yl)prop-2-enamide (PubChem CID 57081671) has the molecular formula C7H6BrNOS and a molecular weight of 232.10 g/mol. Its IUPAC name is 3-(4-bromothiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-bromothiophen-2-yl)prop-2-enamide
PubChem CID57081671
Molecular FormulaC7H6BrNOS
Molecular Weight232.10 g/mol
Exact Mass230.94
IUPAC Name3-(4-bromothiophen-2-yl)prop-2-enamide
SMILESNC(=O)C=Cc1cc(Br)cs1
InChIInChI=1S/C7H6BrNOS/c8-5-3-6(11-4-5)1-2-7(9)10/h1-4H,(H2,9,10)
InChIKeyMZDIVBFSTBBFEI-UHFFFAOYSA-N
XLogP2.01
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.10
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(4-bromothiophen-2-yl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Bromo-2-thiophenecarboxamide
CID 12836067
(2E)-3-(5-bromothiophen-2-yl)-2-cyanoprop-2-enamide
CID 772375
(5Z)-5-[(4-bromothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5776681
(5Z)-5-[(3-bromothiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 56949754
(5Z)-5-[(3-bromothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 56949898
(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
(E)-3-(4-Bromothiophen-2-yl)acryloyl azide
CID 57845129
(5E)-5-[(4-bromothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5712762
(2E)-3-(4-bromo(2-thienyl))-2-cyanoprop-2-enamide
CID 5713931
(5Z)-5-[(4-bromothiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 8271389

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromothiophen-2-yl)prop-2-enamide?
The IUPAC name of 3-(4-bromothiophen-2-yl)prop-2-enamide (CID 57081671) is 3-(4-bromothiophen-2-yl)prop-2-enamide.
What is the SMILES notation for 3-(4-bromothiophen-2-yl)prop-2-enamide?
The canonical SMILES for 3-(4-bromothiophen-2-yl)prop-2-enamide is NC(=O)C=Cc1cc(Br)cs1.
What is the InChIKey of 3-(4-bromothiophen-2-yl)prop-2-enamide?
The InChIKey is MZDIVBFSTBBFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNOS/c8-5-3-6(11-4-5)1-2-7(9)10/h1-4H,(H2,9,10).
What are the key properties of 3-(4-bromothiophen-2-yl)prop-2-enamide?
3-(4-bromothiophen-2-yl)prop-2-enamide has a molecular weight of 232.10 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromothiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 57081671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).