6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide

C9H9N5S3 — CID 113298644

IUPAC6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Sc2nnc(SC)s2)nc1
InChIInChI=1S/C9H9N5S3/c1-15-8-13-14-9(17-8)16-6-3-2-5(4-12-6)7(10)11/h2-4H,1H3,(H3,10,11)
InChIKeyOMEXVMQLOAIEOL-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.09
Rot. Bonds4

About 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide

6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide (PubChem CID 113298644) has the molecular formula C9H9N5S3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide
PubChem CID113298644
Molecular FormulaC9H9N5S3
Molecular Weight283.41 g/mol
Exact Mass283.00
IUPAC Name6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Sc2nnc(SC)s2)nc1
InChIInChI=1S/C9H9N5S3/c1-15-8-13-14-9(17-8)16-6-3-2-5(4-12-6)7(10)11/h2-4H,1H3,(H3,10,11)
InChIKeyOMEXVMQLOAIEOL-UHFFFAOYSA-N
XLogP2.09
TPSA88.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide
CID 60875812
3,5-difluoro-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenecarboximidamide
CID 115383047
6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide
CID 104603204
6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile
CID 47150238
4-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenecarboximidamide
CID 113298641
N-methyl-1-[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]methanamine
CID 115383909
3-chloro-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzenecarboximidamide
CID 102668601
N'-hydroxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide
CID 60874848
6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboximidamide
CID 115478465
6-(2-methylbutylsulfanyl)pyridine-3-carboximidamide
CID 107750112
6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboximidamide
CID 55126545
6-cyclohexylsulfanylpyridine-3-carboximidamide
CID 60887032

Frequently Asked Questions

What is the IUPAC name of 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide?
The IUPAC name of 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide (CID 113298644) is 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide.
What is the SMILES notation for 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide?
The canonical SMILES for 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(Sc2nnc(SC)s2)nc1.
What is the InChIKey of 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide?
The InChIKey is OMEXVMQLOAIEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5S3/c1-15-8-13-14-9(17-8)16-6-3-2-5(4-12-6)7(10)11/h2-4H,1H3,(H3,10,11).
What are the key properties of 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide?
6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide has a molecular weight of 283.41 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide is sourced from PubChem (CID 113298644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).