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

C9H9N5S2 — CID 60875812

IUPAC6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Sc2nnc(C)s2)nc1
InChIInChI=1S/C9H9N5S2/c1-5-13-14-9(15-5)16-7-3-2-6(4-12-7)8(10)11/h2-4H,1H3,(H3,10,11)
InChIKeyWFAIXMCNHOFBNB-UHFFFAOYSA-N
MW251.34 g/mol
LogP1.68
Rot. Bonds3

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

6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide (PubChem CID 60875812) has the molecular formula C9H9N5S2 and a molecular weight of 251.34 g/mol. Its IUPAC name is 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide
PubChem CID60875812
Molecular FormulaC9H9N5S2
Molecular Weight251.34 g/mol
Exact Mass251.03
IUPAC Name6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Sc2nnc(C)s2)nc1
InChIInChI=1S/C9H9N5S2/c1-5-13-14-9(15-5)16-7-3-2-6(4-12-7)8(10)11/h2-4H,1H3,(H3,10,11)
InChIKeyWFAIXMCNHOFBNB-UHFFFAOYSA-N
XLogP1.68
TPSA88.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide
CID 113298644
N'-hydroxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide
CID 60874848
ethyl 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboxylate
CID 103613540
6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide
CID 104603204
3-chloro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzenecarboximidamide
CID 102668557
2-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenecarboximidamide
CID 55079053
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
6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)pyridine-3-carboximidamide
CID 115479801
N'-hydroxy-2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-4-carboximidamide
CID 137013908

Frequently Asked Questions

What is the IUPAC name of 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide?
The IUPAC name of 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide (CID 60875812) is 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide.
What is the SMILES notation for 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide?
The canonical SMILES for 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(Sc2nnc(C)s2)nc1.
What is the InChIKey of 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide?
The InChIKey is WFAIXMCNHOFBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5S2/c1-5-13-14-9(15-5)16-7-3-2-6(4-12-7)8(10)11/h2-4H,1H3,(H3,10,11).
What are the key properties of 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide?
6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide has a molecular weight of 251.34 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide is sourced from PubChem (CID 60875812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).