3-methyl-4-(thiophen-2-ylmethoxy)benzenecarboximidamide

C13H14N2OS — CID 54966518

IUPAC3-methyl-4-(thiophen-2-ylmethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCc2cccs2)c(C)c1
InChIInChI=1S/C13H14N2OS/c1-9-7-10(13(14)15)4-5-12(9)16-8-11-3-2-6-17-11/h2-7H,8H2,1H3,(H3,14,15)
InChIKeyNFHBNCYLGIURKG-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.92
Rot. Bonds4

About 3-methyl-4-(thiophen-2-ylmethoxy)benzenecarboximidamide

3-methyl-4-(thiophen-2-ylmethoxy)benzenecarboximidamide (PubChem CID 54966518) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 3-methyl-4-(thiophen-2-ylmethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name3-methyl-4-(thiophen-2-ylmethoxy)benzenecarboximidamide
PubChem CID54966518
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name3-methyl-4-(thiophen-2-ylmethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCc2cccs2)c(C)c1
InChIInChI=1S/C13H14N2OS/c1-9-7-10(13(14)15)4-5-12(9)16-8-11-3-2-6-17-11/h2-7H,8H2,1H3,(H3,14,15)
InChIKeyNFHBNCYLGIURKG-UHFFFAOYSA-N
XLogP2.92
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.92
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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(thiophen-2-ylmethoxy)benzenecarboximidamide?
The IUPAC name of 3-methyl-4-(thiophen-2-ylmethoxy)benzenecarboximidamide (CID 54966518) is 3-methyl-4-(thiophen-2-ylmethoxy)benzenecarboximidamide.
What is the SMILES notation for 3-methyl-4-(thiophen-2-ylmethoxy)benzenecarboximidamide?
The canonical SMILES for 3-methyl-4-(thiophen-2-ylmethoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCc2cccs2)c(C)c1.
What is the InChIKey of 3-methyl-4-(thiophen-2-ylmethoxy)benzenecarboximidamide?
The InChIKey is NFHBNCYLGIURKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-9-7-10(13(14)15)4-5-12(9)16-8-11-3-2-6-17-11/h2-7H,8H2,1H3,(H3,14,15).
What are the key properties of 3-methyl-4-(thiophen-2-ylmethoxy)benzenecarboximidamide?
3-methyl-4-(thiophen-2-ylmethoxy)benzenecarboximidamide has a molecular weight of 246.34 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(thiophen-2-ylmethoxy)benzenecarboximidamide is sourced from PubChem (CID 54966518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).