5-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carbothioamide

C10H12N4O2S3 — CID 106271336

IUPAC5-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carbothioamide
SMILESCN(Cc1ncc[nH]1)S(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C10H12N4O2S3/c1-14(6-8-12-4-5-13-8)19(15,16)9-3-2-7(18-9)10(11)17/h2-5H,6H2,1H3,(H2,11,17)(H,12,13)
InChIKeyVDEGWWYGEIBAEN-UHFFFAOYSA-N
MW316.43 g/mol
LogP0.93
Rot. Bonds5

About 5-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carbothioamide

5-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carbothioamide (PubChem CID 106271336) has the molecular formula C10H12N4O2S3 and a molecular weight of 316.43 g/mol. Its IUPAC name is 5-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carbothioamide.

Molecular Properties

Compound Name5-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carbothioamide
PubChem CID106271336
Molecular FormulaC10H12N4O2S3
Molecular Weight316.43 g/mol
Exact Mass316.01
IUPAC Name5-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carbothioamide
SMILESCN(Cc1ncc[nH]1)S(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C10H12N4O2S3/c1-14(6-8-12-4-5-13-8)19(15,16)9-3-2-7(18-9)10(11)17/h2-5H,6H2,1H3,(H2,11,17)(H,12,13)
InChIKeyVDEGWWYGEIBAEN-UHFFFAOYSA-N
XLogP0.93
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 50.93
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-[methyl(2-methylsulfonylethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106271507
5-[3-(dimethylamino)propyl-methylsulfamoyl]thiophene-2-carbothioamide
CID 106271240
5-[2-methoxyethyl(methyl)sulfamoyl]thiophene-2-carbothioamide
CID 114166607
4-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]-3-methylbenzenecarbothioamide
CID 106998310
3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]-4-methylbenzenecarbothioamide
CID 64518280
5-[methyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270368
5-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-1,3,4-thiadiazole-2-sulfonamide
CID 113383240
1-(1H-imidazol-2-ylmethyl)-1-methylthiourea
CID 64511696
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylethanesulfonamide
CID 64511725
5-[2-(dimethylamino)ethyl-(2-methylpropyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270862
5-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]thiophene-3-carboxylic acid
CID 64510074
5-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270582

Frequently Asked Questions

What is the IUPAC name of 5-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carbothioamide?
The IUPAC name of 5-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carbothioamide (CID 106271336) is 5-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carbothioamide.
What is the SMILES notation for 5-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carbothioamide?
The canonical SMILES for 5-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carbothioamide is CN(Cc1ncc[nH]1)S(=O)(=O)c1ccc(C(N)=S)s1.
What is the InChIKey of 5-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carbothioamide?
The InChIKey is VDEGWWYGEIBAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S3/c1-14(6-8-12-4-5-13-8)19(15,16)9-3-2-7(18-9)10(11)17/h2-5H,6H2,1H3,(H2,11,17)(H,12,13).
What are the key properties of 5-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carbothioamide?
5-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carbothioamide has a molecular weight of 316.43 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carbothioamide is sourced from PubChem (CID 106271336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).