5-(pyridin-4-ylsulfamoyl)thiophene-2-carbothioamide

C10H9N3O2S3 — CID 106270146

IUPAC5-(pyridin-4-ylsulfamoyl)thiophene-2-carbothioamide
SMILESNC(=S)c1ccc(S(=O)(=O)Nc2ccncc2)s1
InChIInChI=1S/C10H9N3O2S3/c11-10(16)8-1-2-9(17-8)18(14,15)13-7-3-5-12-6-4-7/h1-6H,(H2,11,16)(H,12,13)
InChIKeyXWXJLHNEQJRUPO-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.58
Rot. Bonds4

About 5-(pyridin-4-ylsulfamoyl)thiophene-2-carbothioamide

5-(pyridin-4-ylsulfamoyl)thiophene-2-carbothioamide (PubChem CID 106270146) has the molecular formula C10H9N3O2S3 and a molecular weight of 299.40 g/mol. Its IUPAC name is 5-(pyridin-4-ylsulfamoyl)thiophene-2-carbothioamide.

Molecular Properties

Compound Name5-(pyridin-4-ylsulfamoyl)thiophene-2-carbothioamide
PubChem CID106270146
Molecular FormulaC10H9N3O2S3
Molecular Weight299.40 g/mol
Exact Mass298.99
IUPAC Name5-(pyridin-4-ylsulfamoyl)thiophene-2-carbothioamide
SMILESNC(=S)c1ccc(S(=O)(=O)Nc2ccncc2)s1
InChIInChI=1S/C10H9N3O2S3/c11-10(16)8-1-2-9(17-8)18(14,15)13-7-3-5-12-6-4-7/h1-6H,(H2,11,16)(H,12,13)
InChIKeyXWXJLHNEQJRUPO-UHFFFAOYSA-N
XLogP1.58
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(phenylsulfamoyl)thiophene-2-carbothioamide
CID 114166525
5-[(3-bromo-4-pyridinyl)sulfamoyl]thiophene-2-carbothioamide
CID 106271635
5-(pyridin-2-ylsulfamoyl)thiophene-2-carbothioamide
CID 106269900
5-[(3-methylphenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270162
5-[(3-bromo-4-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106271772
5-(2-aminoethyl)-N-pyridin-4-ylthiophene-2-sulfonamide
CID 43520810
5-[(3-chloro-5-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106272013
2-(pyridin-4-ylsulfamoyl)benzenecarbothioamide
CID 24710907
5-[(2-chlorophenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270086
5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carbothioamide
CID 106270396
5-[(4-bromo-2,6-difluorophenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106271389
5-[(4-bromo-2-methylphenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106269968

Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-4-ylsulfamoyl)thiophene-2-carbothioamide?
The IUPAC name of 5-(pyridin-4-ylsulfamoyl)thiophene-2-carbothioamide (CID 106270146) is 5-(pyridin-4-ylsulfamoyl)thiophene-2-carbothioamide.
What is the SMILES notation for 5-(pyridin-4-ylsulfamoyl)thiophene-2-carbothioamide?
The canonical SMILES for 5-(pyridin-4-ylsulfamoyl)thiophene-2-carbothioamide is NC(=S)c1ccc(S(=O)(=O)Nc2ccncc2)s1.
What is the InChIKey of 5-(pyridin-4-ylsulfamoyl)thiophene-2-carbothioamide?
The InChIKey is XWXJLHNEQJRUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S3/c11-10(16)8-1-2-9(17-8)18(14,15)13-7-3-5-12-6-4-7/h1-6H,(H2,11,16)(H,12,13).
What are the key properties of 5-(pyridin-4-ylsulfamoyl)thiophene-2-carbothioamide?
5-(pyridin-4-ylsulfamoyl)thiophene-2-carbothioamide has a molecular weight of 299.40 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridin-4-ylsulfamoyl)thiophene-2-carbothioamide is sourced from PubChem (CID 106270146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).