N'-(thiophen-2-ylmethyl)benzenecarboximidamide

C12H12N2S — CID 62049809

IUPACN'-(thiophen-2-ylmethyl)benzenecarboximidamide
SMILESN/C(=N\Cc1cccs1)c1ccccc1
InChIInChI=1S/C12H12N2S/c13-12(10-5-2-1-3-6-10)14-9-11-7-4-8-15-11/h1-8H,9H2,(H2,13,14)
InChIKeyVOSQBSMFAAIXCY-UHFFFAOYSA-N
MW216.31 g/mol
LogP2.65
Rot. Bonds3

About N'-(thiophen-2-ylmethyl)benzenecarboximidamide

N'-(thiophen-2-ylmethyl)benzenecarboximidamide (PubChem CID 62049809) has the molecular formula C12H12N2S and a molecular weight of 216.31 g/mol. Its IUPAC name is N'-(thiophen-2-ylmethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(thiophen-2-ylmethyl)benzenecarboximidamide
PubChem CID62049809
Molecular FormulaC12H12N2S
Molecular Weight216.31 g/mol
Exact Mass216.07
IUPAC NameN'-(thiophen-2-ylmethyl)benzenecarboximidamide
SMILESN/C(=N\Cc1cccs1)c1ccccc1
InChIInChI=1S/C12H12N2S/c13-12(10-5-2-1-3-6-10)14-9-11-7-4-8-15-11/h1-8H,9H2,(H2,13,14)
InChIKeyVOSQBSMFAAIXCY-UHFFFAOYSA-N
XLogP2.65
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N'-[(4-bromothiophen-2-yl)methyl]benzenecarboximidamide
CID 63362894
N'-[3-[[amino(phenyl)methylidene]amino]propyl]benzenecarboximidamide
CID 132564986
N'-[(2-methylphenyl)methyl]benzenecarboximidamide
CID 63175435
N'-(1,3-thiazol-4-ylmethyl)benzenecarboximidamide
CID 63365254
1-butan-2-yl-2-(thiophen-2-ylmethyl)guanidine
CID 110919590
N-(2-amino-2-oxoethyl)-N-(thiophen-2-ylmethyl)benzamide;benzene
CID 144887997
N'-ethyl-2-thiophen-2-ylethanimidamide
CID 63181752
N'-(1H-pyrazol-4-ylmethyl)benzenecarboximidamide
CID 63177958
N'-(2-thiophen-3-ylethyl)benzenecarboximidamide
CID 63177343
N-(thiophen-2-ylmethoxy)benzamide
CID 21191380
[(Z)-[amino(phenyl)methylidene]amino] thiophene-2-carboxylate
CID 5332740
1-amino-3-ethyl-2-(thiophen-2-ylmethyl)guanidine
CID 116513135

Frequently Asked Questions

What is the IUPAC name of N'-(thiophen-2-ylmethyl)benzenecarboximidamide?
The IUPAC name of N'-(thiophen-2-ylmethyl)benzenecarboximidamide (CID 62049809) is N'-(thiophen-2-ylmethyl)benzenecarboximidamide.
What is the SMILES notation for N'-(thiophen-2-ylmethyl)benzenecarboximidamide?
The canonical SMILES for N'-(thiophen-2-ylmethyl)benzenecarboximidamide is N/C(=N\Cc1cccs1)c1ccccc1.
What is the InChIKey of N'-(thiophen-2-ylmethyl)benzenecarboximidamide?
The InChIKey is VOSQBSMFAAIXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S/c13-12(10-5-2-1-3-6-10)14-9-11-7-4-8-15-11/h1-8H,9H2,(H2,13,14).
What are the key properties of N'-(thiophen-2-ylmethyl)benzenecarboximidamide?
N'-(thiophen-2-ylmethyl)benzenecarboximidamide has a molecular weight of 216.31 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(thiophen-2-ylmethyl)benzenecarboximidamide is sourced from PubChem (CID 62049809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).