5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carbothioamide

C10H12N4O2S3 — CID 106270396

IUPAC5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carbothioamide
SMILESCc1n[nH]c(C)c1NS(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C10H12N4O2S3/c1-5-9(6(2)13-12-5)14-19(15,16)8-4-3-7(18-8)10(11)17/h3-4,14H,1-2H3,(H2,11,17)(H,12,13)
InChIKeyXZLAHDHKVYKVJB-UHFFFAOYSA-N
MW316.43 g/mol
LogP1.52
Rot. Bonds4

About 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carbothioamide

5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carbothioamide (PubChem CID 106270396) has the molecular formula C10H12N4O2S3 and a molecular weight of 316.43 g/mol. Its IUPAC name is 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carbothioamide.

Molecular Properties

Compound Name5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carbothioamide
PubChem CID106270396
Molecular FormulaC10H12N4O2S3
Molecular Weight316.43 g/mol
Exact Mass316.01
IUPAC Name5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carbothioamide
SMILESCc1n[nH]c(C)c1NS(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C10H12N4O2S3/c1-5-9(6(2)13-12-5)14-19(15,16)8-4-3-7(18-8)10(11)17/h3-4,14H,1-2H3,(H2,11,17)(H,12,13)
InChIKeyXZLAHDHKVYKVJB-UHFFFAOYSA-N
XLogP1.52
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 51.52
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-(pyridin-4-ylsulfamoyl)thiophene-2-carbothioamide
CID 106270146
5-[(4-bromo-2,6-difluorophenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106271389
5-(phenylsulfamoyl)thiophene-2-carbothioamide
CID 114166525
5-[(3-methylphenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270162
5-[(4-bromo-2-methylphenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106269968
5-(pyridin-2-ylsulfamoyl)thiophene-2-carbothioamide
CID 106269900
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-hydroxybenzenesulfonamide
CID 81241328
5-[(5-bromo-4-fluoro-2-methylphenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106272038
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoylmethyl]benzenecarbothioamide
CID 43547743
5-[(2-chlorophenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270086
4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 25046851
5-[(3-bromo-4-pyridinyl)sulfamoyl]thiophene-2-carbothioamide
CID 106271635

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carbothioamide?
The IUPAC name of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carbothioamide (CID 106270396) is 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carbothioamide.
What is the SMILES notation for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carbothioamide?
The canonical SMILES for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carbothioamide is Cc1n[nH]c(C)c1NS(=O)(=O)c1ccc(C(N)=S)s1.
What is the InChIKey of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carbothioamide?
The InChIKey is XZLAHDHKVYKVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S3/c1-5-9(6(2)13-12-5)14-19(15,16)8-4-3-7(18-8)10(11)17/h3-4,14H,1-2H3,(H2,11,17)(H,12,13).
What are the key properties of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carbothioamide?
5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carbothioamide has a molecular weight of 316.43 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carbothioamide is sourced from PubChem (CID 106270396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).