N'-(2-thiophen-3-ylethyl)benzenecarboximidamide

C13H14N2S — CID 63177343

IUPACN'-(2-thiophen-3-ylethyl)benzenecarboximidamide
SMILESN/C(=N\CCc1ccsc1)c1ccccc1
InChIInChI=1S/C13H14N2S/c14-13(12-4-2-1-3-5-12)15-8-6-11-7-9-16-10-11/h1-5,7,9-10H,6,8H2,(H2,14,15)
InChIKeyWZJHMLCVDMCBEI-UHFFFAOYSA-N
MW230.34 g/mol
LogP2.70
Rot. Bonds4

About N'-(2-thiophen-3-ylethyl)benzenecarboximidamide

N'-(2-thiophen-3-ylethyl)benzenecarboximidamide (PubChem CID 63177343) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is N'-(2-thiophen-3-ylethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(2-thiophen-3-ylethyl)benzenecarboximidamide
PubChem CID63177343
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC NameN'-(2-thiophen-3-ylethyl)benzenecarboximidamide
SMILESN/C(=N\CCc1ccsc1)c1ccccc1
InChIInChI=1S/C13H14N2S/c14-13(12-4-2-1-3-5-12)15-8-6-11-7-9-16-10-11/h1-5,7,9-10H,6,8H2,(H2,14,15)
InChIKeyWZJHMLCVDMCBEI-UHFFFAOYSA-N
XLogP2.70
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 52.70
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

1-phenyl-2-(2-thiophen-3-ylethyl)guanidine
CID 55063925
2-chloro-N'-(2-thiophen-3-ylethyl)ethanimidamide;hydrochloride
CID 21144610
N'-[3-[[amino(phenyl)methylidene]amino]propyl]benzenecarboximidamide
CID 132564986
N'-[2-(4-methoxyphenyl)ethyl]benzenecarboximidamide
CID 62048855
4-[2-[4-(aminomethyl)phenyl]ethyl]-N'-(2-phenylethyl)benzenecarboximidamide;dihydrochloride
CID 3063603
N'-(4-aminobutyl)benzenecarboximidamide
CID 172789846
1-(diaminomethylidene)-2-(3-thiophen-3-ylpropyl)guanidine
CID 70250571
1-phenyl-5-thiophen-3-ylpentan-1-one
CID 64503847
N'-[2-(methylamino)ethyl]benzenecarboximidamide
CID 89222579
2-thiophen-3-ylethyl carbamimidothioate
CID 65211727
N'-[(4-bromothiophen-2-yl)methyl]benzenecarboximidamide
CID 63362894
N'-(1,3-thiazol-4-ylmethyl)benzenecarboximidamide
CID 63365254

Frequently Asked Questions

What is the IUPAC name of N'-(2-thiophen-3-ylethyl)benzenecarboximidamide?
The IUPAC name of N'-(2-thiophen-3-ylethyl)benzenecarboximidamide (CID 63177343) is N'-(2-thiophen-3-ylethyl)benzenecarboximidamide.
What is the SMILES notation for N'-(2-thiophen-3-ylethyl)benzenecarboximidamide?
The canonical SMILES for N'-(2-thiophen-3-ylethyl)benzenecarboximidamide is N/C(=N\CCc1ccsc1)c1ccccc1.
What is the InChIKey of N'-(2-thiophen-3-ylethyl)benzenecarboximidamide?
The InChIKey is WZJHMLCVDMCBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c14-13(12-4-2-1-3-5-12)15-8-6-11-7-9-16-10-11/h1-5,7,9-10H,6,8H2,(H2,14,15).
What are the key properties of N'-(2-thiophen-3-ylethyl)benzenecarboximidamide?
N'-(2-thiophen-3-ylethyl)benzenecarboximidamide has a molecular weight of 230.34 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-thiophen-3-ylethyl)benzenecarboximidamide is sourced from PubChem (CID 63177343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).