5-phenylthiophene-2-carboximidamide

C11H10N2S — CID 146170564

IUPAC5-phenylthiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C11H10N2S/c12-11(13)10-7-6-9(14-10)8-4-2-1-3-5-8/h1-7H,(H3,12,13)
InChIKeyYQGXFGCWUBMBNN-UHFFFAOYSA-N
MW202.28 g/mol
LogP2.70
Rot. Bonds2

About 5-phenylthiophene-2-carboximidamide

5-phenylthiophene-2-carboximidamide (PubChem CID 146170564) has the molecular formula C11H10N2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 5-phenylthiophene-2-carboximidamide.

Molecular Properties

Compound Name5-phenylthiophene-2-carboximidamide
PubChem CID146170564
Molecular FormulaC11H10N2S
Molecular Weight202.28 g/mol
Exact Mass202.06
IUPAC Name5-phenylthiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C11H10N2S/c12-11(13)10-7-6-9(14-10)8-4-2-1-3-5-8/h1-7H,(H3,12,13)
InChIKeyYQGXFGCWUBMBNN-UHFFFAOYSA-N
XLogP2.70
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 52.70
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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Frequently Asked Questions

What is the IUPAC name of 5-phenylthiophene-2-carboximidamide?
The IUPAC name of 5-phenylthiophene-2-carboximidamide (CID 146170564) is 5-phenylthiophene-2-carboximidamide.
What is the SMILES notation for 5-phenylthiophene-2-carboximidamide?
The canonical SMILES for 5-phenylthiophene-2-carboximidamide is [H]/N=C(\N)c1ccc(-c2ccccc2)s1.
What is the InChIKey of 5-phenylthiophene-2-carboximidamide?
The InChIKey is YQGXFGCWUBMBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2S/c12-11(13)10-7-6-9(14-10)8-4-2-1-3-5-8/h1-7H,(H3,12,13).
What are the key properties of 5-phenylthiophene-2-carboximidamide?
5-phenylthiophene-2-carboximidamide has a molecular weight of 202.28 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylthiophene-2-carboximidamide is sourced from PubChem (CID 146170564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).