thiophen-2-ylmethanimine

C5H5NS — CID 11536139

IUPACthiophen-2-ylmethanimine
SMILES[H]/N=C/c1cccs1
InChIInChI=1S/C5H5NS/c6-4-5-2-1-3-7-5/h1-4,6H/b6-4+
InChIKeyQZYOCUJUNXNLSM-GQCTYLIASA-N
MW111.17 g/mol
LogP1.75
Rot. Bonds1

About thiophen-2-ylmethanimine

thiophen-2-ylmethanimine (PubChem CID 11536139) has the molecular formula C5H5NS and a molecular weight of 111.17 g/mol. Its IUPAC name is thiophen-2-ylmethanimine.

Molecular Properties

Compound Namethiophen-2-ylmethanimine
PubChem CID11536139
Molecular FormulaC5H5NS
Molecular Weight111.17 g/mol
Exact Mass111.01
IUPAC Namethiophen-2-ylmethanimine
SMILES[H]/N=C/c1cccs1
InChIInChI=1S/C5H5NS/c6-4-5-2-1-3-7-5/h1-4,6H/b6-4+
InChIKeyQZYOCUJUNXNLSM-GQCTYLIASA-N
XLogP1.75
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.17
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze thiophen-2-ylmethanimine 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 thiophen-2-ylmethanimine?
The IUPAC name of thiophen-2-ylmethanimine (CID 11536139) is thiophen-2-ylmethanimine.
What is the SMILES notation for thiophen-2-ylmethanimine?
The canonical SMILES for thiophen-2-ylmethanimine is [H]/N=C/c1cccs1.
What is the InChIKey of thiophen-2-ylmethanimine?
The InChIKey is QZYOCUJUNXNLSM-GQCTYLIASA-N. The full InChI is InChI=1S/C5H5NS/c6-4-5-2-1-3-7-5/h1-4,6H/b6-4+.
What are the key properties of thiophen-2-ylmethanimine?
thiophen-2-ylmethanimine has a molecular weight of 111.17 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-ylmethanimine is sourced from PubChem (CID 11536139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).