3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]pyridine-2-carbothioamide

C11H12N4O2S3 — CID 106597308

IUPAC3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]pyridine-2-carbothioamide
SMILESCc1ncsc1CNS(=O)(=O)c1cccnc1C(N)=S
InChIInChI=1S/C11H12N4O2S3/c1-7-8(19-6-14-7)5-15-20(16,17)9-3-2-4-13-10(9)11(12)18/h2-4,6,15H,5H2,1H3,(H2,12,18)
InChIKeyFPAOXLOXHRSHIK-UHFFFAOYSA-N
MW328.44 g/mol
LogP0.96
Rot. Bonds5

About 3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]pyridine-2-carbothioamide

3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]pyridine-2-carbothioamide (PubChem CID 106597308) has the molecular formula C11H12N4O2S3 and a molecular weight of 328.44 g/mol. Its IUPAC name is 3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]pyridine-2-carbothioamide.

Molecular Properties

Compound Name3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]pyridine-2-carbothioamide
PubChem CID106597308
Molecular FormulaC11H12N4O2S3
Molecular Weight328.44 g/mol
Exact Mass328.01
IUPAC Name3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]pyridine-2-carbothioamide
SMILESCc1ncsc1CNS(=O)(=O)c1cccnc1C(N)=S
InChIInChI=1S/C11H12N4O2S3/c1-7-8(19-6-14-7)5-15-20(16,17)9-3-2-4-13-10(9)11(12)18/h2-4,6,15H,5H2,1H3,(H2,12,18)
InChIKeyFPAOXLOXHRSHIK-UHFFFAOYSA-N
XLogP0.96
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 50.96
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

3-[(3-ethylthiophen-2-yl)methylsulfamoyl]pyridine-2-carbothioamide
CID 106597606
3-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]pyridine-2-carbothioamide
CID 106596914
3-(ethylsulfamoyl)pyridine-2-carbothioamide
CID 106596293
3-[(5-chlorothiophen-2-yl)methylsulfamoyl]pyridine-2-carbothioamide
CID 106597414
3-[(2-methylpyrazol-3-yl)methylsulfamoyl]pyridine-2-carbothioamide
CID 106597314
3-(2-methylsulfanylethylsulfamoyl)pyridine-2-carbothioamide
CID 106597383
2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine
CID 75356106
ethyl 3-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]propanoate
CID 106597141
5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 63283991
3-[(2-ethoxy-2-methylpropyl)sulfamoyl]pyridine-2-carbothioamide
CID 106597973
3-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]pyridine-2-carbothioamide
CID 106597364
3-[(2-methylthiolan-2-yl)methylsulfamoyl]pyridine-2-carbothioamide
CID 106597633

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]pyridine-2-carbothioamide?
The IUPAC name of 3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]pyridine-2-carbothioamide (CID 106597308) is 3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]pyridine-2-carbothioamide.
What is the SMILES notation for 3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]pyridine-2-carbothioamide?
The canonical SMILES for 3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]pyridine-2-carbothioamide is Cc1ncsc1CNS(=O)(=O)c1cccnc1C(N)=S.
What is the InChIKey of 3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]pyridine-2-carbothioamide?
The InChIKey is FPAOXLOXHRSHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S3/c1-7-8(19-6-14-7)5-15-20(16,17)9-3-2-4-13-10(9)11(12)18/h2-4,6,15H,5H2,1H3,(H2,12,18).
What are the key properties of 3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]pyridine-2-carbothioamide?
3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]pyridine-2-carbothioamide has a molecular weight of 328.44 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]pyridine-2-carbothioamide is sourced from PubChem (CID 106597308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).