2-(5-cyanothiophen-3-yl)ethanimidamide

C7H7N3S — CID 142650185

IUPAC2-(5-cyanothiophen-3-yl)ethanimidamide
SMILES[H]/N=C(\N)Cc1csc(C#N)c1
InChIInChI=1S/C7H7N3S/c8-3-6-1-5(4-11-6)2-7(9)10/h1,4H,2H2,(H3,9,10)
InChIKeyTZTWLCOCKAFBKZ-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.10
Rot. Bonds2

About 2-(5-cyanothiophen-3-yl)ethanimidamide

2-(5-cyanothiophen-3-yl)ethanimidamide (PubChem CID 142650185) has the molecular formula C7H7N3S and a molecular weight of 165.22 g/mol. Its IUPAC name is 2-(5-cyanothiophen-3-yl)ethanimidamide.

Molecular Properties

Compound Name2-(5-cyanothiophen-3-yl)ethanimidamide
PubChem CID142650185
Molecular FormulaC7H7N3S
Molecular Weight165.22 g/mol
Exact Mass165.04
IUPAC Name2-(5-cyanothiophen-3-yl)ethanimidamide
SMILES[H]/N=C(\N)Cc1csc(C#N)c1
InChIInChI=1S/C7H7N3S/c8-3-6-1-5(4-11-6)2-7(9)10/h1,4H,2H2,(H3,9,10)
InChIKeyTZTWLCOCKAFBKZ-UHFFFAOYSA-N
XLogP1.10
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-[(4S)-4-amino-2-imino-3-oxopentyl]thiophene-2-carbonitrile
CID 174339386
4-(bromomethyl)thiophene-2-carbonitrile
CID 158246643
2-[4-(2-amino-2-iminoethyl)phenyl]ethanimidamide
CID 3685928
2-phenylethanimidamide
CID 27787
4-(3-aminoprop-1-enyl)thiophene-2-carbonitrile
CID 169463120
(2S)-3-(5-cyanothiophen-3-yl)-2-methylpropanoic acid
CID 157309366
4-(butylaminomethyl)thiophene-2-carbonitrile
CID 165444806
2-pyridin-4-ylethanimidamide
CID 5078674
2-(4-bromophenyl)ethanimidamide;hydrochloride
CID 21499748
acetic acid;2-thiophen-3-ylethanimidamide
CID 122460781
2-[3-(2-aminoethyl)phenyl]ethanimidamide
CID 55252678
methane;2-(4-nitrophenyl)(113C)ethanimidamide
CID 161262683

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyanothiophen-3-yl)ethanimidamide?
The IUPAC name of 2-(5-cyanothiophen-3-yl)ethanimidamide (CID 142650185) is 2-(5-cyanothiophen-3-yl)ethanimidamide.
What is the SMILES notation for 2-(5-cyanothiophen-3-yl)ethanimidamide?
The canonical SMILES for 2-(5-cyanothiophen-3-yl)ethanimidamide is [H]/N=C(\N)Cc1csc(C#N)c1.
What is the InChIKey of 2-(5-cyanothiophen-3-yl)ethanimidamide?
The InChIKey is TZTWLCOCKAFBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S/c8-3-6-1-5(4-11-6)2-7(9)10/h1,4H,2H2,(H3,9,10).
What are the key properties of 2-(5-cyanothiophen-3-yl)ethanimidamide?
2-(5-cyanothiophen-3-yl)ethanimidamide has a molecular weight of 165.22 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyanothiophen-3-yl)ethanimidamide is sourced from PubChem (CID 142650185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).