2-(thiophen-2-ylmethoxy)benzenecarboximidamide

C12H12N2OS — CID 24710159

IUPAC2-(thiophen-2-ylmethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1OCc1cccs1
InChIInChI=1S/C12H12N2OS/c13-12(14)10-5-1-2-6-11(10)15-8-9-4-3-7-16-9/h1-7H,8H2,(H3,13,14)
InChIKeyLVYIAADELDGYAO-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.61
Rot. Bonds4

About 2-(thiophen-2-ylmethoxy)benzenecarboximidamide

2-(thiophen-2-ylmethoxy)benzenecarboximidamide (PubChem CID 24710159) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 2-(thiophen-2-ylmethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-(thiophen-2-ylmethoxy)benzenecarboximidamide
PubChem CID24710159
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name2-(thiophen-2-ylmethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1OCc1cccs1
InChIInChI=1S/C12H12N2OS/c13-12(14)10-5-1-2-6-11(10)15-8-9-4-3-7-16-9/h1-7H,8H2,(H3,13,14)
InChIKeyLVYIAADELDGYAO-UHFFFAOYSA-N
XLogP2.61
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.61
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'}

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Related Compounds

2-(2-thiophen-2-ylethoxymethyl)benzenecarboximidamide
CID 54966720
3-methyl-4-(thiophen-2-ylmethoxy)benzenecarboximidamide
CID 54966518
2-(pyridin-4-ylmethoxy)benzenecarboximidamide
CID 24702540
2-(furan-2-ylmethoxy)benzenecarboximidamide
CID 28601541
2-[(2-methoxyphenoxy)methyl]thiophene
CID 174917989
2-[(2-bromophenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253873
6-(thiophen-2-ylmethoxy)pyridine-2-carboximidamide
CID 64593634
(NE)-N-[1-[2-(thiophen-2-ylmethoxy)phenyl]propylidene]hydroxylamine
CID 43185543
2-prop-2-enoxybenzenecarboximidamide;hydrochloride
CID 22462384
2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253513
2-(oxan-4-ylmethoxy)benzenecarboximidamide
CID 62381525
2-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide
CID 43658905

Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylmethoxy)benzenecarboximidamide?
The IUPAC name of 2-(thiophen-2-ylmethoxy)benzenecarboximidamide (CID 24710159) is 2-(thiophen-2-ylmethoxy)benzenecarboximidamide.
What is the SMILES notation for 2-(thiophen-2-ylmethoxy)benzenecarboximidamide?
The canonical SMILES for 2-(thiophen-2-ylmethoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccccc1OCc1cccs1.
What is the InChIKey of 2-(thiophen-2-ylmethoxy)benzenecarboximidamide?
The InChIKey is LVYIAADELDGYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c13-12(14)10-5-1-2-6-11(10)15-8-9-4-3-7-16-9/h1-7H,8H2,(H3,13,14).
What are the key properties of 2-(thiophen-2-ylmethoxy)benzenecarboximidamide?
2-(thiophen-2-ylmethoxy)benzenecarboximidamide has a molecular weight of 232.31 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylmethoxy)benzenecarboximidamide is sourced from PubChem (CID 24710159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).