5-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]pyridine-2-carbothioamide

C10H11N5O2S3 — CID 107642048

IUPAC5-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]pyridine-2-carbothioamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(C(N)=S)nc2)s1
InChIInChI=1S/C10H11N5O2S3/c1-2-8-13-14-10(19-8)15-20(16,17)6-3-4-7(9(11)18)12-5-6/h3-5H,2H2,1H3,(H2,11,18)(H,14,15)
InChIKeyAPDCXNNJPVSEOZ-UHFFFAOYSA-N
MW329.43 g/mol
LogP0.93
Rot. Bonds5

About 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]pyridine-2-carbothioamide

5-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]pyridine-2-carbothioamide (PubChem CID 107642048) has the molecular formula C10H11N5O2S3 and a molecular weight of 329.43 g/mol. Its IUPAC name is 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]pyridine-2-carbothioamide.

Molecular Properties

Compound Name5-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]pyridine-2-carbothioamide
PubChem CID107642048
Molecular FormulaC10H11N5O2S3
Molecular Weight329.43 g/mol
Exact Mass329.01
IUPAC Name5-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]pyridine-2-carbothioamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(C(N)=S)nc2)s1
InChIInChI=1S/C10H11N5O2S3/c1-2-8-13-14-10(19-8)15-20(16,17)6-3-4-7(9(11)18)12-5-6/h3-5H,2H2,1H3,(H2,11,18)(H,14,15)
InChIKeyAPDCXNNJPVSEOZ-UHFFFAOYSA-N
XLogP0.93
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 25041652
sodium;4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;hydride
CID 3083738
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-propylbenzenesulfonamide
CID 3414696
3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 20983487
5-(2,2-dimethylbutylsulfamoyl)pyridine-2-carbothioamide
CID 103461809
3-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide
CID 106089691
2-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide
CID 114614169
5-[(3,4-dimethylphenyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614064
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
CID 1244336
3-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(hydroxymethyl)benzenesulfonamide
CID 106000069
2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4,5-dimethylbenzenesulfonamide
CID 107641384
5-[2-(dimethylamino)ethylsulfamoyl]pyridine-2-carbothioamide
CID 114613962

Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]pyridine-2-carbothioamide?
The IUPAC name of 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]pyridine-2-carbothioamide (CID 107642048) is 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]pyridine-2-carbothioamide.
What is the SMILES notation for 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]pyridine-2-carbothioamide?
The canonical SMILES for 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]pyridine-2-carbothioamide is CCc1nnc(NS(=O)(=O)c2ccc(C(N)=S)nc2)s1.
What is the InChIKey of 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]pyridine-2-carbothioamide?
The InChIKey is APDCXNNJPVSEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2S3/c1-2-8-13-14-10(19-8)15-20(16,17)6-3-4-7(9(11)18)12-5-6/h3-5H,2H2,1H3,(H2,11,18)(H,14,15).
What are the key properties of 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]pyridine-2-carbothioamide?
5-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]pyridine-2-carbothioamide has a molecular weight of 329.43 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]pyridine-2-carbothioamide is sourced from PubChem (CID 107642048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).