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

C9H9N5O2S3 — CID 106597904

IUPAC3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]pyridine-2-carbothioamide
SMILESCc1nnc(NS(=O)(=O)c2cccnc2C(N)=S)s1
InChIInChI=1S/C9H9N5O2S3/c1-5-12-13-9(18-5)14-19(15,16)6-3-2-4-11-7(6)8(10)17/h2-4H,1H3,(H2,10,17)(H,13,14)
InChIKeySYQCBBSXQOZXTQ-UHFFFAOYSA-N
MW315.41 g/mol
LogP0.68
Rot. Bonds4

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

3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]pyridine-2-carbothioamide (PubChem CID 106597904) has the molecular formula C9H9N5O2S3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]pyridine-2-carbothioamide.

Molecular Properties

Compound Name3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]pyridine-2-carbothioamide
PubChem CID106597904
Molecular FormulaC9H9N5O2S3
Molecular Weight315.41 g/mol
Exact Mass314.99
IUPAC Name3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]pyridine-2-carbothioamide
SMILESCc1nnc(NS(=O)(=O)c2cccnc2C(N)=S)s1
InChIInChI=1S/C9H9N5O2S3/c1-5-12-13-9(18-5)14-19(15,16)6-3-2-4-11-7(6)8(10)17/h2-4H,1H3,(H2,10,17)(H,13,14)
InChIKeySYQCBBSXQOZXTQ-UHFFFAOYSA-N
XLogP0.68
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 50.68
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

[({[6-(1h-Tetrazol-5-Yl)pyridin-3-Yl]sulfonyl}amino)methyl]boronic Acid
CID 71519580
Pyridine, 3-(5-amino-1,3,4-thiadiazol-2-yl)-
CID 199035
5-[(4-Pyridin-1-ium-1-ylphenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide perchlorate
CID 118731312
1-(phenylsulfonyl)-1H-pyrrole-2-carbaldehyde thiosemicarbazone
CID 10870565
Pyridine, 2-(2-amino-1,3,4-thiadiazol-5-yl)-, hydrochloride
CID 199034
(5-Pyridin-2-yl-1,3,4-thiadiazol-2-yl)hydrazine;hydrochloride
CID 45265561
2-(5-Pyridin-2-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride
CID 45265726
5-pyridin-2-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiophene-2-sulfonamide
CID 172433874
5-pyridin-2-yl-N-(2H-tetrazol-5-yl)thiophene-2-sulfonamide
CID 172437852
1,3-dimethyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 6465680
5-pyridin-2-yl-N-[(E)-pyridin-2-ylmethylideneamino]-1,3,4-thiadiazol-2-amine
CID 172439133
pyridyl-N-[1,3,4]-thiadiazol-2-yl-benzene sulfonamide
CID 129823871

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]pyridine-2-carbothioamide?
The IUPAC name of 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]pyridine-2-carbothioamide (CID 106597904) is 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]pyridine-2-carbothioamide.
What is the SMILES notation for 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]pyridine-2-carbothioamide?
The canonical SMILES for 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]pyridine-2-carbothioamide is Cc1nnc(NS(=O)(=O)c2cccnc2C(N)=S)s1.
What is the InChIKey of 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]pyridine-2-carbothioamide?
The InChIKey is SYQCBBSXQOZXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2S3/c1-5-12-13-9(18-5)14-19(15,16)6-3-2-4-11-7(6)8(10)17/h2-4H,1H3,(H2,10,17)(H,13,14).
What are the key properties of 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]pyridine-2-carbothioamide?
3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]pyridine-2-carbothioamide has a molecular weight of 315.41 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]pyridine-2-carbothioamide is sourced from PubChem (CID 106597904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).