3-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl]pyridine-2-carbothioamide

C12H15N5O2S2 — CID 107463285

IUPAC3-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl]pyridine-2-carbothioamide
SMILESCCc1nn(C)cc1NS(=O)(=O)c1cccnc1C(N)=S
InChIInChI=1S/C12H15N5O2S2/c1-3-8-9(7-17(2)15-8)16-21(18,19)10-5-4-6-14-11(10)12(13)20/h4-7,16H,3H2,1-2H3,(H2,13,20)
InChIKeyFIDREODSVQHGEK-UHFFFAOYSA-N
MW325.42 g/mol
LogP0.81
Rot. Bonds5

About 3-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl]pyridine-2-carbothioamide

3-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl]pyridine-2-carbothioamide (PubChem CID 107463285) has the molecular formula C12H15N5O2S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is 3-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl]pyridine-2-carbothioamide.

Molecular Properties

Compound Name3-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl]pyridine-2-carbothioamide
PubChem CID107463285
Molecular FormulaC12H15N5O2S2
Molecular Weight325.42 g/mol
Exact Mass325.07
IUPAC Name3-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl]pyridine-2-carbothioamide
SMILESCCc1nn(C)cc1NS(=O)(=O)c1cccnc1C(N)=S
InChIInChI=1S/C12H15N5O2S2/c1-3-8-9(7-17(2)15-8)16-21(18,19)10-5-4-6-14-11(10)12(13)20/h4-7,16H,3H2,1-2H3,(H2,13,20)
InChIKeyFIDREODSVQHGEK-UHFFFAOYSA-N
XLogP0.81
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 50.81
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

4-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl]benzenecarbothioamide
CID 107463279
3-[(2-methylsulfanylphenyl)sulfamoyl]pyridine-2-carbothioamide
CID 107642035
3-(ethylsulfamoyl)pyridine-2-carbothioamide
CID 106596293
3-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]pyridine-2-carbothioamide
CID 106596464
3-(phenylsulfamoyl)pyridine-2-carbothioamide
CID 106596278
3-[(4-bromo-2-methylphenyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596318
5-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzenesulfonamide
CID 107462000
3-[(2,6-dibromophenyl)sulfamoyl]pyridine-2-carbothioamide
CID 107600488
4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-fluorobenzenesulfonamide
CID 107461994
4-amino-2-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide
CID 107462077
3-[(2-bromo-4-methylphenyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596311
3-[(2,5-difluorophenyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596322

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl]pyridine-2-carbothioamide?
The IUPAC name of 3-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl]pyridine-2-carbothioamide (CID 107463285) is 3-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl]pyridine-2-carbothioamide.
What is the SMILES notation for 3-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl]pyridine-2-carbothioamide?
The canonical SMILES for 3-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl]pyridine-2-carbothioamide is CCc1nn(C)cc1NS(=O)(=O)c1cccnc1C(N)=S.
What is the InChIKey of 3-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl]pyridine-2-carbothioamide?
The InChIKey is FIDREODSVQHGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S2/c1-3-8-9(7-17(2)15-8)16-21(18,19)10-5-4-6-14-11(10)12(13)20/h4-7,16H,3H2,1-2H3,(H2,13,20).
What are the key properties of 3-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl]pyridine-2-carbothioamide?
3-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl]pyridine-2-carbothioamide has a molecular weight of 325.42 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl]pyridine-2-carbothioamide is sourced from PubChem (CID 107463285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).