2-amino-1-thiophen-2-ylethanone

C6H7NOS — CID 672215

IUPAC2-amino-1-thiophen-2-ylethanone
SMILESNCC(=O)c1cccs1
InChIInChI=1S/C6H7NOS/c7-4-5(8)6-2-1-3-9-6/h1-3H,4,7H2
InChIKeyCDRVJDMCHHVZIM-UHFFFAOYSA-N
MW141.19 g/mol
LogP0.89
Rot. Bonds2

About 2-amino-1-thiophen-2-ylethanone

2-amino-1-thiophen-2-ylethanone (PubChem CID 672215) has the molecular formula C6H7NOS and a molecular weight of 141.19 g/mol. Its IUPAC name is 2-amino-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-amino-1-thiophen-2-ylethanone
PubChem CID672215
Molecular FormulaC6H7NOS
Molecular Weight141.19 g/mol
Exact Mass141.02
IUPAC Name2-amino-1-thiophen-2-ylethanone
SMILESNCC(=O)c1cccs1
InChIInChI=1S/C6H7NOS/c7-4-5(8)6-2-1-3-9-6/h1-3H,4,7H2
InChIKeyCDRVJDMCHHVZIM-UHFFFAOYSA-N
XLogP0.89
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-thiophen-2-ylethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-thiophen-2-ylethanone?
The IUPAC name of 2-amino-1-thiophen-2-ylethanone (CID 672215) is 2-amino-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-amino-1-thiophen-2-ylethanone?
The canonical SMILES for 2-amino-1-thiophen-2-ylethanone is NCC(=O)c1cccs1.
What is the InChIKey of 2-amino-1-thiophen-2-ylethanone?
The InChIKey is CDRVJDMCHHVZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NOS/c7-4-5(8)6-2-1-3-9-6/h1-3H,4,7H2.
What are the key properties of 2-amino-1-thiophen-2-ylethanone?
2-amino-1-thiophen-2-ylethanone has a molecular weight of 141.19 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-thiophen-2-ylethanone is sourced from PubChem (CID 672215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).