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

C11H13N5S2 — CID 81052617

IUPAC2,6-dimethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(Sc2nc(C)ns2)cc(C)nc1C
InChIInChI=1S/C11H13N5S2/c1-5-4-8(9(10(12)13)6(2)14-5)17-11-15-7(3)16-18-11/h4H,1-3H3,(H3,12,13)
InChIKeyASHXVSZWUJTQSM-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.29
Rot. Bonds3

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

2,6-dimethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-3-carboximidamide (PubChem CID 81052617) has the molecular formula C11H13N5S2 and a molecular weight of 279.39 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-3-carboximidamide.

Molecular Properties

Compound Name2,6-dimethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-3-carboximidamide
PubChem CID81052617
Molecular FormulaC11H13N5S2
Molecular Weight279.39 g/mol
Exact Mass279.06
IUPAC Name2,6-dimethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(Sc2nc(C)ns2)cc(C)nc1C
InChIInChI=1S/C11H13N5S2/c1-5-4-8(9(10(12)13)6(2)14-5)17-11-15-7(3)16-18-11/h4H,1-3H3,(H3,12,13)
InChIKeyASHXVSZWUJTQSM-UHFFFAOYSA-N
XLogP2.29
TPSA88.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.29
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'}

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Related Compounds

4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2,6-dimethylpyridine-3-carboximidamide
CID 81052540
2,6-dimethyl-4-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide
CID 81052305
4-(4-hydroxybutan-2-ylsulfanyl)-2,6-dimethylpyridine-3-carboximidamide
CID 81052236
4-(3-hydroxypropylsulfanyl)-2,6-dimethylpyridine-3-carboximidamide
CID 81052310
2,6-dimethyl-4-(2-methylsulfonylethylsulfanyl)pyridine-3-carboximidamide
CID 81051551
4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2,6-dimethylpyridine-3-carboximidamide
CID 81052383
4-methoxy-2,6-dimethylpyridine-3-carboximidamide
CID 81052054
2,6-dimethyl-4-(methylamino)pyridine-3-carboximidamide
CID 81052045
2-bromo-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenecarboximidamide
CID 114884443
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-methylpyrimidine-4-carboximidamide
CID 107551897
2,6-dimethyl-4-[2-methylpropyl(pentan-3-yl)amino]pyridine-3-carboximidamide
CID 81037767
2,6-dimethyl-4-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboximidamide
CID 81054743

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-3-carboximidamide?
The IUPAC name of 2,6-dimethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-3-carboximidamide (CID 81052617) is 2,6-dimethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-3-carboximidamide.
What is the SMILES notation for 2,6-dimethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-3-carboximidamide?
The canonical SMILES for 2,6-dimethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-3-carboximidamide is [H]/N=C(\N)c1c(Sc2nc(C)ns2)cc(C)nc1C.
What is the InChIKey of 2,6-dimethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-3-carboximidamide?
The InChIKey is ASHXVSZWUJTQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5S2/c1-5-4-8(9(10(12)13)6(2)14-5)17-11-15-7(3)16-18-11/h4H,1-3H3,(H3,12,13).
What are the key properties of 2,6-dimethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-3-carboximidamide?
2,6-dimethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-3-carboximidamide has a molecular weight of 279.39 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-3-carboximidamide is sourced from PubChem (CID 81052617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).