2-iodothiophene-3-carboxamide

C5H4INOS — CID 119020665

IUPAC2-iodothiophene-3-carboxamide
SMILESNC(=O)c1ccsc1I
InChIInChI=1S/C5H4INOS/c6-4-3(5(7)8)1-2-9-4/h1-2H,(H2,7,8)
InChIKeyANKJIAPRCKJXPJ-UHFFFAOYSA-N
MW253.06 g/mol
LogP1.45
Rot. Bonds1

About 2-iodothiophene-3-carboxamide

2-iodothiophene-3-carboxamide (PubChem CID 119020665) has the molecular formula C5H4INOS and a molecular weight of 253.06 g/mol. Its IUPAC name is 2-iodothiophene-3-carboxamide.

Molecular Properties

Compound Name2-iodothiophene-3-carboxamide
PubChem CID119020665
Molecular FormulaC5H4INOS
Molecular Weight253.06 g/mol
Exact Mass252.91
IUPAC Name2-iodothiophene-3-carboxamide
SMILESNC(=O)c1ccsc1I
InChIInChI=1S/C5H4INOS/c6-4-3(5(7)8)1-2-9-4/h1-2H,(H2,7,8)
InChIKeyANKJIAPRCKJXPJ-UHFFFAOYSA-N
XLogP1.45
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.06
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodothiophene-3-carboxamide?
The IUPAC name of 2-iodothiophene-3-carboxamide (CID 119020665) is 2-iodothiophene-3-carboxamide.
What is the SMILES notation for 2-iodothiophene-3-carboxamide?
The canonical SMILES for 2-iodothiophene-3-carboxamide is NC(=O)c1ccsc1I.
What is the InChIKey of 2-iodothiophene-3-carboxamide?
The InChIKey is ANKJIAPRCKJXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4INOS/c6-4-3(5(7)8)1-2-9-4/h1-2H,(H2,7,8).
What are the key properties of 2-iodothiophene-3-carboxamide?
2-iodothiophene-3-carboxamide has a molecular weight of 253.06 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodothiophene-3-carboxamide is sourced from PubChem (CID 119020665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).