N'-[4-[[cyanomethyl(methyl)amino]methyl]phenyl]thiophene-2-carboximidamide

C15H16N4S — CID 22225903

IUPACN'-[4-[[cyanomethyl(methyl)amino]methyl]phenyl]thiophene-2-carboximidamide
SMILESCN(CC#N)Cc1ccc(/N=C(\N)c2cccs2)cc1
InChIInChI=1S/C15H16N4S/c1-19(9-8-16)11-12-4-6-13(7-5-12)18-15(17)14-3-2-10-20-14/h2-7,10H,9,11H2,1H3,(H2,17,18)
InChIKeyLWIPLNHFRXHPKZ-UHFFFAOYSA-N
MW284.39 g/mol
LogP2.74
Rot. Bonds5

About N'-[4-[[cyanomethyl(methyl)amino]methyl]phenyl]thiophene-2-carboximidamide

N'-[4-[[cyanomethyl(methyl)amino]methyl]phenyl]thiophene-2-carboximidamide (PubChem CID 22225903) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is N'-[4-[[cyanomethyl(methyl)amino]methyl]phenyl]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[4-[[cyanomethyl(methyl)amino]methyl]phenyl]thiophene-2-carboximidamide
PubChem CID22225903
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC NameN'-[4-[[cyanomethyl(methyl)amino]methyl]phenyl]thiophene-2-carboximidamide
SMILESCN(CC#N)Cc1ccc(/N=C(\N)c2cccs2)cc1
InChIInChI=1S/C15H16N4S/c1-19(9-8-16)11-12-4-6-13(7-5-12)18-15(17)14-3-2-10-20-14/h2-7,10H,9,11H2,1H3,(H2,17,18)
InChIKeyLWIPLNHFRXHPKZ-UHFFFAOYSA-N
XLogP2.74
TPSA65.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}, {'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 N'-[4-[[cyanomethyl(methyl)amino]methyl]phenyl]thiophene-2-carboximidamide?
The IUPAC name of N'-[4-[[cyanomethyl(methyl)amino]methyl]phenyl]thiophene-2-carboximidamide (CID 22225903) is N'-[4-[[cyanomethyl(methyl)amino]methyl]phenyl]thiophene-2-carboximidamide.
What is the SMILES notation for N'-[4-[[cyanomethyl(methyl)amino]methyl]phenyl]thiophene-2-carboximidamide?
The canonical SMILES for N'-[4-[[cyanomethyl(methyl)amino]methyl]phenyl]thiophene-2-carboximidamide is CN(CC#N)Cc1ccc(/N=C(\N)c2cccs2)cc1.
What is the InChIKey of N'-[4-[[cyanomethyl(methyl)amino]methyl]phenyl]thiophene-2-carboximidamide?
The InChIKey is LWIPLNHFRXHPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-19(9-8-16)11-12-4-6-13(7-5-12)18-15(17)14-3-2-10-20-14/h2-7,10H,9,11H2,1H3,(H2,17,18).
What are the key properties of N'-[4-[[cyanomethyl(methyl)amino]methyl]phenyl]thiophene-2-carboximidamide?
N'-[4-[[cyanomethyl(methyl)amino]methyl]phenyl]thiophene-2-carboximidamide has a molecular weight of 284.39 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[[cyanomethyl(methyl)amino]methyl]phenyl]thiophene-2-carboximidamide is sourced from PubChem (CID 22225903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).