2-ethanimidoylthiophen-3-amine

C6H8N2S — CID 137141051

IUPAC2-ethanimidoylthiophen-3-amine
SMILES[H]/N=C(\C)c1sccc1N
InChIInChI=1S/C6H8N2S/c1-4(7)6-5(8)2-3-9-6/h2-3,7H,8H2,1H3/b7-4+
InChIKeyPFTUGFRYDKLCCQ-QPJJXVBHSA-N
MW140.21 g/mol
LogP1.72
Rot. Bonds1

About 2-ethanimidoylthiophen-3-amine

2-ethanimidoylthiophen-3-amine (PubChem CID 137141051) has the molecular formula C6H8N2S and a molecular weight of 140.21 g/mol. Its IUPAC name is 2-ethanimidoylthiophen-3-amine.

Molecular Properties

Compound Name2-ethanimidoylthiophen-3-amine
PubChem CID137141051
Molecular FormulaC6H8N2S
Molecular Weight140.21 g/mol
Exact Mass140.04
IUPAC Name2-ethanimidoylthiophen-3-amine
SMILES[H]/N=C(\C)c1sccc1N
InChIInChI=1S/C6H8N2S/c1-4(7)6-5(8)2-3-9-6/h2-3,7H,8H2,1H3/b7-4+
InChIKeyPFTUGFRYDKLCCQ-QPJJXVBHSA-N
XLogP1.72
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethanimidoylthiophen-3-amine?
The IUPAC name of 2-ethanimidoylthiophen-3-amine (CID 137141051) is 2-ethanimidoylthiophen-3-amine.
What is the SMILES notation for 2-ethanimidoylthiophen-3-amine?
The canonical SMILES for 2-ethanimidoylthiophen-3-amine is [H]/N=C(\C)c1sccc1N.
What is the InChIKey of 2-ethanimidoylthiophen-3-amine?
The InChIKey is PFTUGFRYDKLCCQ-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H8N2S/c1-4(7)6-5(8)2-3-9-6/h2-3,7H,8H2,1H3/b7-4+.
What are the key properties of 2-ethanimidoylthiophen-3-amine?
2-ethanimidoylthiophen-3-amine has a molecular weight of 140.21 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethanimidoylthiophen-3-amine is sourced from PubChem (CID 137141051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).