5-ethyl-1-benzothiophene-2-carboximidamide

C11H12N2S — CID 19007705

IUPAC5-ethyl-1-benzothiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc2cc(CC)ccc2s1
InChIInChI=1S/C11H12N2S/c1-2-7-3-4-9-8(5-7)6-10(14-9)11(12)13/h3-6H,2H2,1H3,(H3,12,13)
InChIKeyTUJIKWLTRMXRGI-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.75
Rot. Bonds2

About 5-ethyl-1-benzothiophene-2-carboximidamide

5-ethyl-1-benzothiophene-2-carboximidamide (PubChem CID 19007705) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 5-ethyl-1-benzothiophene-2-carboximidamide.

Molecular Properties

Compound Name5-ethyl-1-benzothiophene-2-carboximidamide
PubChem CID19007705
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name5-ethyl-1-benzothiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc2cc(CC)ccc2s1
InChIInChI=1S/C11H12N2S/c1-2-7-3-4-9-8(5-7)6-10(14-9)11(12)13/h3-6H,2H2,1H3,(H3,12,13)
InChIKeyTUJIKWLTRMXRGI-UHFFFAOYSA-N
XLogP2.75
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.75
H-Bond Donors ≤ 52
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

5-ethyl-1-benzothiophene-2-carboximidamide;hydrochloride
CID 19007704
5-butyl-1-benzothiophene-2-carboximidamide;hydrochloride
CID 19007469
5-hexyl-1-benzothiophene-2-carboximidamide;hydrochloride
CID 19007533
1-(5-ethyl-1-benzothiophen-2-yl)ethanone
CID 143033233
benzo[f][1]benzothiole-2-carboximidamide;hydrochloride
CID 19007393
4-ethylbenzenecarboximidamide;hydrochloride
CID 15564107
4-propyl-1-benzothiophene-2-carboximidamide
CID 19007628
7-methoxy-1-benzothiophene-2-carboximidamide
CID 83677734
5-ethyl-2-methoxybenzenecarboximidamide
CID 82490617
5-methylthiophene-2-carboximidamide;hydrochloride
CID 52988386
4-bromo-5-methyl-1-benzothiophene-2-carboximidamide;dodecahydrate;hydrochloride
CID 19007357
1-(1-benzothiophen-2-yl)ethanimine
CID 88963302

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-benzothiophene-2-carboximidamide?
The IUPAC name of 5-ethyl-1-benzothiophene-2-carboximidamide (CID 19007705) is 5-ethyl-1-benzothiophene-2-carboximidamide.
What is the SMILES notation for 5-ethyl-1-benzothiophene-2-carboximidamide?
The canonical SMILES for 5-ethyl-1-benzothiophene-2-carboximidamide is [H]/N=C(\N)c1cc2cc(CC)ccc2s1.
What is the InChIKey of 5-ethyl-1-benzothiophene-2-carboximidamide?
The InChIKey is TUJIKWLTRMXRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-2-7-3-4-9-8(5-7)6-10(14-9)11(12)13/h3-6H,2H2,1H3,(H3,12,13).
What are the key properties of 5-ethyl-1-benzothiophene-2-carboximidamide?
5-ethyl-1-benzothiophene-2-carboximidamide has a molecular weight of 204.30 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-benzothiophene-2-carboximidamide is sourced from PubChem (CID 19007705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).