N'-thiophen-3-ylethanimidamide

C6H8N2S — CID 66353578

IUPACN'-thiophen-3-ylethanimidamide
SMILESC/C(N)=N\c1ccsc1
InChIInChI=1S/C6H8N2S/c1-5(7)8-6-2-3-9-4-6/h2-4H,1H3,(H2,7,8)
InChIKeySCQRNSZBOMYIJY-UHFFFAOYSA-N
MW140.21 g/mol
LogP1.76
Rot. Bonds1

About N'-thiophen-3-ylethanimidamide

N'-thiophen-3-ylethanimidamide (PubChem CID 66353578) has the molecular formula C6H8N2S and a molecular weight of 140.21 g/mol. Its IUPAC name is N'-thiophen-3-ylethanimidamide.

Molecular Properties

Compound NameN'-thiophen-3-ylethanimidamide
PubChem CID66353578
Molecular FormulaC6H8N2S
Molecular Weight140.21 g/mol
Exact Mass140.04
IUPAC NameN'-thiophen-3-ylethanimidamide
SMILESC/C(N)=N\c1ccsc1
InChIInChI=1S/C6H8N2S/c1-5(7)8-6-2-3-9-4-6/h2-4H,1H3,(H2,7,8)
InChIKeySCQRNSZBOMYIJY-UHFFFAOYSA-N
XLogP1.76
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 51.76
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N'-thiophen-3-ylethanimidamide?
The IUPAC name of N'-thiophen-3-ylethanimidamide (CID 66353578) is N'-thiophen-3-ylethanimidamide.
What is the SMILES notation for N'-thiophen-3-ylethanimidamide?
The canonical SMILES for N'-thiophen-3-ylethanimidamide is C/C(N)=N\c1ccsc1.
What is the InChIKey of N'-thiophen-3-ylethanimidamide?
The InChIKey is SCQRNSZBOMYIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S/c1-5(7)8-6-2-3-9-4-6/h2-4H,1H3,(H2,7,8).
What are the key properties of N'-thiophen-3-ylethanimidamide?
N'-thiophen-3-ylethanimidamide has a molecular weight of 140.21 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-thiophen-3-ylethanimidamide is sourced from PubChem (CID 66353578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).