N-ethylthiophene-2-carboximidoyl isocyanide

C8H8N2S — CID 20728939

IUPACN-ethylthiophene-2-carboximidoyl isocyanide
SMILES[C-]#[N+]/C(=N\CC)c1cccs1
InChIInChI=1S/C8H8N2S/c1-3-10-8(9-2)7-5-4-6-11-7/h4-6H,3H2,1H3/b10-8-
InChIKeyVBJSTCLKVHYFLF-NTMALXAHSA-N
MW164.23 g/mol
LogP2.43
Rot. Bonds2

About N-ethylthiophene-2-carboximidoyl isocyanide

N-ethylthiophene-2-carboximidoyl isocyanide (PubChem CID 20728939) has the molecular formula C8H8N2S and a molecular weight of 164.23 g/mol. Its IUPAC name is N-ethylthiophene-2-carboximidoyl isocyanide.

Molecular Properties

Compound NameN-ethylthiophene-2-carboximidoyl isocyanide
PubChem CID20728939
Molecular FormulaC8H8N2S
Molecular Weight164.23 g/mol
Exact Mass164.04
IUPAC NameN-ethylthiophene-2-carboximidoyl isocyanide
SMILES[C-]#[N+]/C(=N\CC)c1cccs1
InChIInChI=1S/C8H8N2S/c1-3-10-8(9-2)7-5-4-6-11-7/h4-6H,3H2,1H3/b10-8-
InChIKeyVBJSTCLKVHYFLF-NTMALXAHSA-N
XLogP2.43
TPSA16.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-ethylthiophene-2-carboximidoyl isocyanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-ethyl-3-oxo-3-thiophen-2-ylpropanimidothioate
CID 54414580
(6Z)-6-hydroxyimino-6-thiophen-2-ylhexan-3-one
CID 89007069
2-(1-thiophen-2-ylprop-1-enyl)thiophene
CID 154192160
N-(dithiophen-2-ylmethylidene)hydroxylamine
CID 2775140
N-butyl-1-thiophen-2-ylethanimine
CID 86108840
1-thiophen-2-ylpropan-1-one
CID 26179
3-ethoxy-2-isocyano-1-thiophen-2-ylprop-2-en-1-one
CID 74005764
2-(1,2,2-trithiophen-2-ylethenyl)thiophene
CID 15249530
N'-ethyl-2-thiophen-2-ylethanimidamide
CID 63181752
2-[(E)-2-isocyanobut-1-enyl]thiophene
CID 176776853
N,N-diethylthiophene-2-carboxamide
CID 962897
2-[(Z)-1-chlorobut-1-enyl]thiophene
CID 102087090

Frequently Asked Questions

What is the IUPAC name of N-ethylthiophene-2-carboximidoyl isocyanide?
The IUPAC name of N-ethylthiophene-2-carboximidoyl isocyanide (CID 20728939) is N-ethylthiophene-2-carboximidoyl isocyanide.
What is the SMILES notation for N-ethylthiophene-2-carboximidoyl isocyanide?
The canonical SMILES for N-ethylthiophene-2-carboximidoyl isocyanide is [C-]#[N+]/C(=N\CC)c1cccs1.
What is the InChIKey of N-ethylthiophene-2-carboximidoyl isocyanide?
The InChIKey is VBJSTCLKVHYFLF-NTMALXAHSA-N. The full InChI is InChI=1S/C8H8N2S/c1-3-10-8(9-2)7-5-4-6-11-7/h4-6H,3H2,1H3/b10-8-.
What are the key properties of N-ethylthiophene-2-carboximidoyl isocyanide?
N-ethylthiophene-2-carboximidoyl isocyanide has a molecular weight of 164.23 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylthiophene-2-carboximidoyl isocyanide is sourced from PubChem (CID 20728939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).