N-[2-(5-iodothiophen-2-yl)ethyl]azetidine-1-carboxamide

C10H13IN2OS — CID 56823912

IUPACN-[2-(5-iodothiophen-2-yl)ethyl]azetidine-1-carboxamide
SMILESO=C(NCCc1ccc(I)s1)N1CCC1
InChIInChI=1S/C10H13IN2OS/c11-9-3-2-8(15-9)4-5-12-10(14)13-6-1-7-13/h2-3H,1,4-7H2,(H,12,14)
InChIKeyQVFZHKJIJHOOJQ-UHFFFAOYSA-N
MW336.20 g/mol
LogP2.31
Rot. Bonds3

About N-[2-(5-iodothiophen-2-yl)ethyl]azetidine-1-carboxamide

N-[2-(5-iodothiophen-2-yl)ethyl]azetidine-1-carboxamide (PubChem CID 56823912) has the molecular formula C10H13IN2OS and a molecular weight of 336.20 g/mol. Its IUPAC name is N-[2-(5-iodothiophen-2-yl)ethyl]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(5-iodothiophen-2-yl)ethyl]azetidine-1-carboxamide
PubChem CID56823912
Molecular FormulaC10H13IN2OS
Molecular Weight336.20 g/mol
Exact Mass335.98
IUPAC NameN-[2-(5-iodothiophen-2-yl)ethyl]azetidine-1-carboxamide
SMILESO=C(NCCc1ccc(I)s1)N1CCC1
InChIInChI=1S/C10H13IN2OS/c11-9-3-2-8(15-9)4-5-12-10(14)13-6-1-7-13/h2-3H,1,4-7H2,(H,12,14)
InChIKeyQVFZHKJIJHOOJQ-UHFFFAOYSA-N
XLogP2.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(5-iodothiophen-2-yl)ethyl]azetidine-1-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 N-[2-(5-iodothiophen-2-yl)ethyl]azetidine-1-carboxamide?
The IUPAC name of N-[2-(5-iodothiophen-2-yl)ethyl]azetidine-1-carboxamide (CID 56823912) is N-[2-(5-iodothiophen-2-yl)ethyl]azetidine-1-carboxamide.
What is the SMILES notation for N-[2-(5-iodothiophen-2-yl)ethyl]azetidine-1-carboxamide?
The canonical SMILES for N-[2-(5-iodothiophen-2-yl)ethyl]azetidine-1-carboxamide is O=C(NCCc1ccc(I)s1)N1CCC1.
What is the InChIKey of N-[2-(5-iodothiophen-2-yl)ethyl]azetidine-1-carboxamide?
The InChIKey is QVFZHKJIJHOOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2OS/c11-9-3-2-8(15-9)4-5-12-10(14)13-6-1-7-13/h2-3H,1,4-7H2,(H,12,14).
What are the key properties of N-[2-(5-iodothiophen-2-yl)ethyl]azetidine-1-carboxamide?
N-[2-(5-iodothiophen-2-yl)ethyl]azetidine-1-carboxamide has a molecular weight of 336.20 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-iodothiophen-2-yl)ethyl]azetidine-1-carboxamide is sourced from PubChem (CID 56823912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).