4-(thiophen-2-ylmethoxymethyl)pyridine-2-carboximidamide

C12H13N3OS — CID 63880687

IUPAC4-(thiophen-2-ylmethoxymethyl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(COCc2cccs2)ccn1
InChIInChI=1S/C12H13N3OS/c13-12(14)11-6-9(3-4-15-11)7-16-8-10-2-1-5-17-10/h1-6H,7-8H2,(H3,13,14)
InChIKeyCTWFIUBQRYCFJF-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.14
Rot. Bonds5

About 4-(thiophen-2-ylmethoxymethyl)pyridine-2-carboximidamide

4-(thiophen-2-ylmethoxymethyl)pyridine-2-carboximidamide (PubChem CID 63880687) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 4-(thiophen-2-ylmethoxymethyl)pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-(thiophen-2-ylmethoxymethyl)pyridine-2-carboximidamide
PubChem CID63880687
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name4-(thiophen-2-ylmethoxymethyl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(COCc2cccs2)ccn1
InChIInChI=1S/C12H13N3OS/c13-12(14)11-6-9(3-4-15-11)7-16-8-10-2-1-5-17-10/h1-6H,7-8H2,(H3,13,14)
InChIKeyCTWFIUBQRYCFJF-UHFFFAOYSA-N
XLogP2.14
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-(thiophen-2-ylmethoxymethyl)pyridine-2-carboximidamide 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-(furan-2-ylmethoxymethyl)pyridine-2-carboximidamide
CID 63882428
3-(thiophen-2-ylmethoxymethyl)benzenecarboximidamide
CID 54966719
4-[(4-methoxyphenyl)methoxymethyl]pyridine-2-carboximidamide
CID 63882445
4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]pyridine-2-carboximidamide
CID 63882610
6-(thiophen-2-ylmethoxy)pyridine-2-carboximidamide
CID 64593634
4-(hydroxymethyl)pyridine-2-carboximidamide
CID 63882803
4-[2-(3-methoxypropoxy)ethoxymethyl]pyridine-2-carboximidamide
CID 103177983
4-[[2-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboximidamide
CID 63880691
4-[(dimethylamino)methyl]pyridine-2-carboximidamide
CID 63880470
4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-2-carboximidamide
CID 79476306
4-[(3-tert-butylphenoxy)methyl]pyridine-2-carboximidamide
CID 63882454
4-[(4-propylphenoxy)methyl]pyridine-2-carboximidamide
CID 63882645

Frequently Asked Questions

What is the IUPAC name of 4-(thiophen-2-ylmethoxymethyl)pyridine-2-carboximidamide?
The IUPAC name of 4-(thiophen-2-ylmethoxymethyl)pyridine-2-carboximidamide (CID 63880687) is 4-(thiophen-2-ylmethoxymethyl)pyridine-2-carboximidamide.
What is the SMILES notation for 4-(thiophen-2-ylmethoxymethyl)pyridine-2-carboximidamide?
The canonical SMILES for 4-(thiophen-2-ylmethoxymethyl)pyridine-2-carboximidamide is [H]/N=C(\N)c1cc(COCc2cccs2)ccn1.
What is the InChIKey of 4-(thiophen-2-ylmethoxymethyl)pyridine-2-carboximidamide?
The InChIKey is CTWFIUBQRYCFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c13-12(14)11-6-9(3-4-15-11)7-16-8-10-2-1-5-17-10/h1-6H,7-8H2,(H3,13,14).
What are the key properties of 4-(thiophen-2-ylmethoxymethyl)pyridine-2-carboximidamide?
4-(thiophen-2-ylmethoxymethyl)pyridine-2-carboximidamide has a molecular weight of 247.32 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiophen-2-ylmethoxymethyl)pyridine-2-carboximidamide is sourced from PubChem (CID 63880687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).