5-[1-(1H-imidazol-2-yl)ethylsulfamoyl]thiophene-2-carbothioamide

C10H12N4O2S3 — CID 106271860

IUPAC5-[1-(1H-imidazol-2-yl)ethylsulfamoyl]thiophene-2-carbothioamide
SMILESCC(NS(=O)(=O)c1ccc(C(N)=S)s1)c1ncc[nH]1
InChIInChI=1S/C10H12N4O2S3/c1-6(10-12-4-5-13-10)14-19(15,16)8-3-2-7(18-8)9(11)17/h2-6,14H,1H3,(H2,11,17)(H,12,13)
InChIKeyOKNNTXRGGAGIIC-UHFFFAOYSA-N
MW316.43 g/mol
LogP1.14
Rot. Bonds5

About 5-[1-(1H-imidazol-2-yl)ethylsulfamoyl]thiophene-2-carbothioamide

5-[1-(1H-imidazol-2-yl)ethylsulfamoyl]thiophene-2-carbothioamide (PubChem CID 106271860) has the molecular formula C10H12N4O2S3 and a molecular weight of 316.43 g/mol. Its IUPAC name is 5-[1-(1H-imidazol-2-yl)ethylsulfamoyl]thiophene-2-carbothioamide.

Molecular Properties

Compound Name5-[1-(1H-imidazol-2-yl)ethylsulfamoyl]thiophene-2-carbothioamide
PubChem CID106271860
Molecular FormulaC10H12N4O2S3
Molecular Weight316.43 g/mol
Exact Mass316.01
IUPAC Name5-[1-(1H-imidazol-2-yl)ethylsulfamoyl]thiophene-2-carbothioamide
SMILESCC(NS(=O)(=O)c1ccc(C(N)=S)s1)c1ncc[nH]1
InChIInChI=1S/C10H12N4O2S3/c1-6(10-12-4-5-13-10)14-19(15,16)8-3-2-7(18-8)9(11)17/h2-6,14H,1H3,(H2,11,17)(H,12,13)
InChIKeyOKNNTXRGGAGIIC-UHFFFAOYSA-N
XLogP1.14
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[1-(5-methyl-1,3-oxazol-2-yl)ethylsulfamoyl]thiophene-2-carbothioamide
CID 106388542
N-[1-(1H-imidazol-2-yl)ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106085013
5-[1-(dimethylamino)propan-2-ylsulfamoyl]thiophene-2-carbothioamide
CID 114166702
5-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carbothioamide
CID 106270609
5-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carbothioamide
CID 106271336
N-[1-(1H-imidazol-2-yl)ethyl]-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106085006
5-(1-methylsulfanylbutan-2-ylsulfamoyl)thiophene-2-carbothioamide
CID 106271839
4-(2-aminoethoxy)-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide
CID 106084999
5-(pyridin-4-ylsulfamoyl)thiophene-2-carbothioamide
CID 106270146
5-(pyridin-2-ylsulfamoyl)thiophene-2-carbothioamide
CID 106269900
5-[[(1R)-1-pyridin-4-ylethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 81404136
5-amino-4-bromo-2-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide
CID 116530663

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1H-imidazol-2-yl)ethylsulfamoyl]thiophene-2-carbothioamide?
The IUPAC name of 5-[1-(1H-imidazol-2-yl)ethylsulfamoyl]thiophene-2-carbothioamide (CID 106271860) is 5-[1-(1H-imidazol-2-yl)ethylsulfamoyl]thiophene-2-carbothioamide.
What is the SMILES notation for 5-[1-(1H-imidazol-2-yl)ethylsulfamoyl]thiophene-2-carbothioamide?
The canonical SMILES for 5-[1-(1H-imidazol-2-yl)ethylsulfamoyl]thiophene-2-carbothioamide is CC(NS(=O)(=O)c1ccc(C(N)=S)s1)c1ncc[nH]1.
What is the InChIKey of 5-[1-(1H-imidazol-2-yl)ethylsulfamoyl]thiophene-2-carbothioamide?
The InChIKey is OKNNTXRGGAGIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S3/c1-6(10-12-4-5-13-10)14-19(15,16)8-3-2-7(18-8)9(11)17/h2-6,14H,1H3,(H2,11,17)(H,12,13).
What are the key properties of 5-[1-(1H-imidazol-2-yl)ethylsulfamoyl]thiophene-2-carbothioamide?
5-[1-(1H-imidazol-2-yl)ethylsulfamoyl]thiophene-2-carbothioamide has a molecular weight of 316.43 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1H-imidazol-2-yl)ethylsulfamoyl]thiophene-2-carbothioamide is sourced from PubChem (CID 106271860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).