3-(thiophen-2-ylmethoxymethyl)benzenecarboximidamide

C13H14N2OS — CID 54966719

IUPAC3-(thiophen-2-ylmethoxymethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(COCc2cccs2)c1
InChIInChI=1S/C13H14N2OS/c14-13(15)11-4-1-3-10(7-11)8-16-9-12-5-2-6-17-12/h1-7H,8-9H2,(H3,14,15)
InChIKeyQWQMNMNFTZDCBO-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.75
Rot. Bonds5

About 3-(thiophen-2-ylmethoxymethyl)benzenecarboximidamide

3-(thiophen-2-ylmethoxymethyl)benzenecarboximidamide (PubChem CID 54966719) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 3-(thiophen-2-ylmethoxymethyl)benzenecarboximidamide.

Molecular Properties

Compound Name3-(thiophen-2-ylmethoxymethyl)benzenecarboximidamide
PubChem CID54966719
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name3-(thiophen-2-ylmethoxymethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(COCc2cccs2)c1
InChIInChI=1S/C13H14N2OS/c14-13(15)11-4-1-3-10(7-11)8-16-9-12-5-2-6-17-12/h1-7H,8-9H2,(H3,14,15)
InChIKeyQWQMNMNFTZDCBO-UHFFFAOYSA-N
XLogP2.75
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(thiophen-2-ylmethoxymethyl)benzenecarboximidamide 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

3-(thiophen-2-ylmethoxymethyl)benzenecarbothioamide
CID 54966964
4-(thiophen-2-ylmethoxymethyl)pyridine-2-carboximidamide
CID 63880687
3-[(4-bromophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride
CID 82253913
3-[(2-bromophenyl)methoxymethyl]benzenecarboximidamide
CID 82253918
3-methyl-4-(thiophen-2-ylmethoxy)benzenecarboximidamide
CID 54966518
2-(thiophen-2-ylmethoxy)benzenecarboximidamide
CID 24710159
6-(thiophen-2-ylmethoxy)pyridine-2-carboximidamide
CID 64593634
2-methyl-6-(thiophen-2-ylmethoxy)pyridine-4-carboximidamide
CID 114769321
3,5-dibromo-4-[(3-carbamimidoylphenyl)methoxy]benzenecarboximidamide
CID 73353685
4-[(3-chlorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride
CID 82253711
4-[(3-carbamimidoylphenyl)methoxy]-3,5-dichlorobenzenecarboximidamide
CID 73355195
3-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide
CID 43128901

Frequently Asked Questions

What is the IUPAC name of 3-(thiophen-2-ylmethoxymethyl)benzenecarboximidamide?
The IUPAC name of 3-(thiophen-2-ylmethoxymethyl)benzenecarboximidamide (CID 54966719) is 3-(thiophen-2-ylmethoxymethyl)benzenecarboximidamide.
What is the SMILES notation for 3-(thiophen-2-ylmethoxymethyl)benzenecarboximidamide?
The canonical SMILES for 3-(thiophen-2-ylmethoxymethyl)benzenecarboximidamide is [H]/N=C(\N)c1cccc(COCc2cccs2)c1.
What is the InChIKey of 3-(thiophen-2-ylmethoxymethyl)benzenecarboximidamide?
The InChIKey is QWQMNMNFTZDCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c14-13(15)11-4-1-3-10(7-11)8-16-9-12-5-2-6-17-12/h1-7H,8-9H2,(H3,14,15).
What are the key properties of 3-(thiophen-2-ylmethoxymethyl)benzenecarboximidamide?
3-(thiophen-2-ylmethoxymethyl)benzenecarboximidamide has a molecular weight of 246.34 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophen-2-ylmethoxymethyl)benzenecarboximidamide is sourced from PubChem (CID 54966719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).