5-(2-imidazol-1-ylethylsulfamoyl)thiophene-2-carbothioamide

C10H12N4O2S3 — CID 106270612

IUPAC5-(2-imidazol-1-ylethylsulfamoyl)thiophene-2-carbothioamide
SMILESNC(=S)c1ccc(S(=O)(=O)NCCn2ccnc2)s1
InChIInChI=1S/C10H12N4O2S3/c11-10(17)8-1-2-9(18-8)19(15,16)13-4-6-14-5-3-12-7-14/h1-3,5,7,13H,4,6H2,(H2,11,17)
InChIKeyCMSXOPUSAHSRPZ-UHFFFAOYSA-N
MW316.43 g/mol
LogP0.56
Rot. Bonds6

About 5-(2-imidazol-1-ylethylsulfamoyl)thiophene-2-carbothioamide

5-(2-imidazol-1-ylethylsulfamoyl)thiophene-2-carbothioamide (PubChem CID 106270612) has the molecular formula C10H12N4O2S3 and a molecular weight of 316.43 g/mol. Its IUPAC name is 5-(2-imidazol-1-ylethylsulfamoyl)thiophene-2-carbothioamide.

Molecular Properties

Compound Name5-(2-imidazol-1-ylethylsulfamoyl)thiophene-2-carbothioamide
PubChem CID106270612
Molecular FormulaC10H12N4O2S3
Molecular Weight316.43 g/mol
Exact Mass316.01
IUPAC Name5-(2-imidazol-1-ylethylsulfamoyl)thiophene-2-carbothioamide
SMILESNC(=S)c1ccc(S(=O)(=O)NCCn2ccnc2)s1
InChIInChI=1S/C10H12N4O2S3/c11-10(17)8-1-2-9(18-8)19(15,16)13-4-6-14-5-3-12-7-14/h1-3,5,7,13H,4,6H2,(H2,11,17)
InChIKeyCMSXOPUSAHSRPZ-UHFFFAOYSA-N
XLogP0.56
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(aminomethyl)-N-(2-imidazol-1-ylethyl)thiophene-2-sulfonamide
CID 54951556
5-[(5-carbamothioylthiophen-2-yl)sulfonylamino]pentanamide
CID 106272188
4-amino-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 61324479
2-[2-[(5-carbamothioylthiophen-2-yl)sulfonylamino]ethoxy]acetamide
CID 106272189
3-amino-4-hydroxy-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 61324481
4-(2-imidazol-1-ylethylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63328610
3-bromo-N-(2-imidazol-1-ylethyl)thiophene-2-sulfonamide
CID 61072946
5-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carbothioamide
CID 106270609
5-[4-[methyl(propan-2-yl)amino]butylsulfamoyl]thiophene-2-carbothioamide
CID 106270991
4-(2-imidazol-1-ylethylamino)benzenecarbothioamide
CID 54951452
5-(2-pyrazol-1-ylethylsulfamoyl)thiophene-2-carboxylic acid
CID 61462775
3-amino-N-(2-imidazol-1-ylethyl)-3-sulfanylidenepropanamide
CID 61460885

Frequently Asked Questions

What is the IUPAC name of 5-(2-imidazol-1-ylethylsulfamoyl)thiophene-2-carbothioamide?
The IUPAC name of 5-(2-imidazol-1-ylethylsulfamoyl)thiophene-2-carbothioamide (CID 106270612) is 5-(2-imidazol-1-ylethylsulfamoyl)thiophene-2-carbothioamide.
What is the SMILES notation for 5-(2-imidazol-1-ylethylsulfamoyl)thiophene-2-carbothioamide?
The canonical SMILES for 5-(2-imidazol-1-ylethylsulfamoyl)thiophene-2-carbothioamide is NC(=S)c1ccc(S(=O)(=O)NCCn2ccnc2)s1.
What is the InChIKey of 5-(2-imidazol-1-ylethylsulfamoyl)thiophene-2-carbothioamide?
The InChIKey is CMSXOPUSAHSRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S3/c11-10(17)8-1-2-9(18-8)19(15,16)13-4-6-14-5-3-12-7-14/h1-3,5,7,13H,4,6H2,(H2,11,17).
What are the key properties of 5-(2-imidazol-1-ylethylsulfamoyl)thiophene-2-carbothioamide?
5-(2-imidazol-1-ylethylsulfamoyl)thiophene-2-carbothioamide has a molecular weight of 316.43 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-imidazol-1-ylethylsulfamoyl)thiophene-2-carbothioamide is sourced from PubChem (CID 106270612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).