5-iodo-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide

C7H5IN4OS — CID 78950224

IUPAC5-iodo-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide
SMILESO=C(Nc1ncn[nH]1)c1csc(I)c1
InChIInChI=1S/C7H5IN4OS/c8-5-1-4(2-14-5)6(13)11-7-9-3-10-12-7/h1-3H,(H2,9,10,11,12,13)
InChIKeyJINSCAQXKXTTNH-UHFFFAOYSA-N
MW320.12 g/mol
LogP1.72
Rot. Bonds2

About 5-iodo-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide

5-iodo-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide (PubChem CID 78950224) has the molecular formula C7H5IN4OS and a molecular weight of 320.12 g/mol. Its IUPAC name is 5-iodo-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide
PubChem CID78950224
Molecular FormulaC7H5IN4OS
Molecular Weight320.12 g/mol
Exact Mass319.92
IUPAC Name5-iodo-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide
SMILESO=C(Nc1ncn[nH]1)c1csc(I)c1
InChIInChI=1S/C7H5IN4OS/c8-5-1-4(2-14-5)6(13)11-7-9-3-10-12-7/h1-3H,(H2,9,10,11,12,13)
InChIKeyJINSCAQXKXTTNH-UHFFFAOYSA-N
XLogP1.72
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.12
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide (CID 78950224) is 5-iodo-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide is O=C(Nc1ncn[nH]1)c1csc(I)c1.
What is the InChIKey of 5-iodo-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide?
The InChIKey is JINSCAQXKXTTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5IN4OS/c8-5-1-4(2-14-5)6(13)11-7-9-3-10-12-7/h1-3H,(H2,9,10,11,12,13).
What are the key properties of 5-iodo-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide?
5-iodo-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide has a molecular weight of 320.12 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide is sourced from PubChem (CID 78950224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).