3-[methyl(thiophen-3-ylmethyl)amino]benzenecarboximidamide

C13H15N3S — CID 62969953

IUPAC3-[methyl(thiophen-3-ylmethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(N(C)Cc2ccsc2)c1
InChIInChI=1S/C13H15N3S/c1-16(8-10-5-6-17-9-10)12-4-2-3-11(7-12)13(14)15/h2-7,9H,8H2,1H3,(H3,14,15)
InChIKeyHJELDESBDKULJZ-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.67
Rot. Bonds4

About 3-[methyl(thiophen-3-ylmethyl)amino]benzenecarboximidamide

3-[methyl(thiophen-3-ylmethyl)amino]benzenecarboximidamide (PubChem CID 62969953) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 3-[methyl(thiophen-3-ylmethyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name3-[methyl(thiophen-3-ylmethyl)amino]benzenecarboximidamide
PubChem CID62969953
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name3-[methyl(thiophen-3-ylmethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(N(C)Cc2ccsc2)c1
InChIInChI=1S/C13H15N3S/c1-16(8-10-5-6-17-9-10)12-4-2-3-11(7-12)13(14)15/h2-7,9H,8H2,1H3,(H3,14,15)
InChIKeyHJELDESBDKULJZ-UHFFFAOYSA-N
XLogP2.67
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.67
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

3-[(3,5-dimethylphenyl)methyl-methylamino]benzenecarboximidamide
CID 62971701
3-[3-[(N-methylanilino)methyl]phenyl]benzenecarboximidamide
CID 59894348
2-methyl-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboximidamide
CID 114768881
3-[[methyl(pyridin-4-yl)amino]methyl]benzenecarboximidamide
CID 62968427
3-[methyl(propyl)amino]benzenecarboximidamide
CID 62970999
3-[2-fluoroethyl(methyl)amino]benzenecarboximidamide
CID 80696188
3-[methyl(1,3-thiazol-5-ylmethyl)amino]benzenecarboximidamide
CID 112640775
3-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 62971177
3-[(2,4-difluorophenyl)methyl-methylamino]benzenecarboximidamide
CID 62970652
3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]benzenecarboximidamide
CID 104631152
3-[methyl(nonyl)amino]benzenecarboximidamide
CID 63525360
3-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]benzenecarboximidamide
CID 112589680

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(thiophen-3-ylmethyl)amino]benzenecarboximidamide?
The IUPAC name of 3-[methyl(thiophen-3-ylmethyl)amino]benzenecarboximidamide (CID 62969953) is 3-[methyl(thiophen-3-ylmethyl)amino]benzenecarboximidamide.
What is the SMILES notation for 3-[methyl(thiophen-3-ylmethyl)amino]benzenecarboximidamide?
The canonical SMILES for 3-[methyl(thiophen-3-ylmethyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1cccc(N(C)Cc2ccsc2)c1.
What is the InChIKey of 3-[methyl(thiophen-3-ylmethyl)amino]benzenecarboximidamide?
The InChIKey is HJELDESBDKULJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-16(8-10-5-6-17-9-10)12-4-2-3-11(7-12)13(14)15/h2-7,9H,8H2,1H3,(H3,14,15).
What are the key properties of 3-[methyl(thiophen-3-ylmethyl)amino]benzenecarboximidamide?
3-[methyl(thiophen-3-ylmethyl)amino]benzenecarboximidamide has a molecular weight of 245.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(thiophen-3-ylmethyl)amino]benzenecarboximidamide is sourced from PubChem (CID 62969953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).