3-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]pyridine-2-carbothioamide

C11H12N4O2S3 — CID 106597364

IUPAC3-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]pyridine-2-carbothioamide
SMILESNC(=S)c1ncccc1S(=O)(=O)NCCc1cscn1
InChIInChI=1S/C11H12N4O2S3/c12-11(18)10-9(2-1-4-13-10)20(16,17)15-5-3-8-6-19-7-14-8/h1-2,4,6-7,15H,3,5H2,(H2,12,18)
InChIKeyGWDCKTNBDOYIGC-UHFFFAOYSA-N
MW328.44 g/mol
LogP0.69
Rot. Bonds6

About 3-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]pyridine-2-carbothioamide

3-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]pyridine-2-carbothioamide (PubChem CID 106597364) has the molecular formula C11H12N4O2S3 and a molecular weight of 328.44 g/mol. Its IUPAC name is 3-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]pyridine-2-carbothioamide.

Molecular Properties

Compound Name3-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]pyridine-2-carbothioamide
PubChem CID106597364
Molecular FormulaC11H12N4O2S3
Molecular Weight328.44 g/mol
Exact Mass328.01
IUPAC Name3-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]pyridine-2-carbothioamide
SMILESNC(=S)c1ncccc1S(=O)(=O)NCCc1cscn1
InChIInChI=1S/C11H12N4O2S3/c12-11(18)10-9(2-1-4-13-10)20(16,17)15-5-3-8-6-19-7-14-8/h1-2,4,6-7,15H,3,5H2,(H2,12,18)
InChIKeyGWDCKTNBDOYIGC-UHFFFAOYSA-N
XLogP0.69
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 50.69
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-methyl-4-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]benzenecarbothioamide
CID 106998243
2-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63825171
2-bromo-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63825961
3-(ethylsulfamoyl)pyridine-2-carbothioamide
CID 106596293
3-(2-methylsulfanylethylsulfamoyl)pyridine-2-carbothioamide
CID 106597383
3-[2-(1-methylimidazol-2-yl)ethylsulfamoyl]pyridine-2-carbothioamide
CID 106597127
2-fluoro-5-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]benzenecarbothioamide
CID 63824301
3-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]pyridine-2-carbothioamide
CID 106596914
ethyl 3-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]propanoate
CID 106597141
4-amino-2-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 55261418
5-amino-2,4-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63830560
3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]pyridine-2-carbothioamide
CID 106597308

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]pyridine-2-carbothioamide?
The IUPAC name of 3-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]pyridine-2-carbothioamide (CID 106597364) is 3-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]pyridine-2-carbothioamide.
What is the SMILES notation for 3-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]pyridine-2-carbothioamide?
The canonical SMILES for 3-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]pyridine-2-carbothioamide is NC(=S)c1ncccc1S(=O)(=O)NCCc1cscn1.
What is the InChIKey of 3-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]pyridine-2-carbothioamide?
The InChIKey is GWDCKTNBDOYIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S3/c12-11(18)10-9(2-1-4-13-10)20(16,17)15-5-3-8-6-19-7-14-8/h1-2,4,6-7,15H,3,5H2,(H2,12,18).
What are the key properties of 3-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]pyridine-2-carbothioamide?
3-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]pyridine-2-carbothioamide has a molecular weight of 328.44 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]pyridine-2-carbothioamide is sourced from PubChem (CID 106597364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).