1-(5-formylthiophen-2-yl)azetidine-3-carboxamide

C9H10N2O2S — CID 131071616

IUPAC1-(5-formylthiophen-2-yl)azetidine-3-carboxamide
SMILESNC(=O)C1CN(c2ccc(C=O)s2)C1
InChIInChI=1S/C9H10N2O2S/c10-9(13)6-3-11(4-6)8-2-1-7(5-12)14-8/h1-2,5-6H,3-4H2,(H2,10,13)
InChIKeyLCZOOZDCPVZSBJ-UHFFFAOYSA-N
MW210.26 g/mol
LogP0.48
Rot. Bonds3

About 1-(5-formylthiophen-2-yl)azetidine-3-carboxamide

1-(5-formylthiophen-2-yl)azetidine-3-carboxamide (PubChem CID 131071616) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 1-(5-formylthiophen-2-yl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-formylthiophen-2-yl)azetidine-3-carboxamide
PubChem CID131071616
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name1-(5-formylthiophen-2-yl)azetidine-3-carboxamide
SMILESNC(=O)C1CN(c2ccc(C=O)s2)C1
InChIInChI=1S/C9H10N2O2S/c10-9(13)6-3-11(4-6)8-2-1-7(5-12)14-8/h1-2,5-6H,3-4H2,(H2,10,13)
InChIKeyLCZOOZDCPVZSBJ-UHFFFAOYSA-N
XLogP0.48
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(5-formylthiophen-2-yl)azetidine-3-carboxamide 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 1-(5-formylthiophen-2-yl)azetidine-3-carboxamide?
The IUPAC name of 1-(5-formylthiophen-2-yl)azetidine-3-carboxamide (CID 131071616) is 1-(5-formylthiophen-2-yl)azetidine-3-carboxamide.
What is the SMILES notation for 1-(5-formylthiophen-2-yl)azetidine-3-carboxamide?
The canonical SMILES for 1-(5-formylthiophen-2-yl)azetidine-3-carboxamide is NC(=O)C1CN(c2ccc(C=O)s2)C1.
What is the InChIKey of 1-(5-formylthiophen-2-yl)azetidine-3-carboxamide?
The InChIKey is LCZOOZDCPVZSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c10-9(13)6-3-11(4-6)8-2-1-7(5-12)14-8/h1-2,5-6H,3-4H2,(H2,10,13).
What are the key properties of 1-(5-formylthiophen-2-yl)azetidine-3-carboxamide?
1-(5-formylthiophen-2-yl)azetidine-3-carboxamide has a molecular weight of 210.26 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-formylthiophen-2-yl)azetidine-3-carboxamide is sourced from PubChem (CID 131071616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).