2,6-dimethyl-4-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide

C12H15N5S — CID 81052305

IUPAC2,6-dimethyl-4-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(Sc2nccn2C)cc(C)nc1C
InChIInChI=1S/C12H15N5S/c1-7-6-9(10(11(13)14)8(2)16-7)18-12-15-4-5-17(12)3/h4-6H,1-3H3,(H3,13,14)
InChIKeyYSXPVKXYNRGSLV-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.87
Rot. Bonds3

About 2,6-dimethyl-4-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide

2,6-dimethyl-4-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide (PubChem CID 81052305) has the molecular formula C12H15N5S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2,6-dimethyl-4-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2,6-dimethyl-4-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide
PubChem CID81052305
Molecular FormulaC12H15N5S
Molecular Weight261.35 g/mol
Exact Mass261.10
IUPAC Name2,6-dimethyl-4-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(Sc2nccn2C)cc(C)nc1C
InChIInChI=1S/C12H15N5S/c1-7-6-9(10(11(13)14)8(2)16-7)18-12-15-4-5-17(12)3/h4-6H,1-3H3,(H3,13,14)
InChIKeyYSXPVKXYNRGSLV-UHFFFAOYSA-N
XLogP1.87
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4,6-dimethyl-2-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide
CID 61176360
5-chloro-2-(1-methylimidazol-2-yl)sulfanylbenzenecarboximidamide
CID 62493763
4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2,6-dimethylpyridine-3-carboximidamide
CID 81052383
2,6-dimethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-3-carboximidamide
CID 81052617
2-(1-methylimidazol-2-yl)sulfanyl-5-(trifluoromethyl)benzenecarboximidamide
CID 43153739
4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2,6-dimethylpyridine-3-carboximidamide
CID 81052540
4-(4-hydroxybutan-2-ylsulfanyl)-2,6-dimethylpyridine-3-carboximidamide
CID 81052236
4-(3-hydroxypropylsulfanyl)-2,6-dimethylpyridine-3-carboximidamide
CID 81052310
5-(1-methylimidazol-2-yl)sulfanylpyridine-2-carboximidamide
CID 115490097
4-imidazol-1-yl-2,6-dimethylpyridine-3-carboximidamide
CID 81052434
2,6-dimethyl-4-(2-methylsulfonylethylsulfanyl)pyridine-3-carboximidamide
CID 81051551
2,6-dimethyl-4-(methylamino)pyridine-3-carboximidamide
CID 81052045

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide?
The IUPAC name of 2,6-dimethyl-4-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide (CID 81052305) is 2,6-dimethyl-4-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide.
What is the SMILES notation for 2,6-dimethyl-4-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide?
The canonical SMILES for 2,6-dimethyl-4-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide is [H]/N=C(\N)c1c(Sc2nccn2C)cc(C)nc1C.
What is the InChIKey of 2,6-dimethyl-4-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide?
The InChIKey is YSXPVKXYNRGSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5S/c1-7-6-9(10(11(13)14)8(2)16-7)18-12-15-4-5-17(12)3/h4-6H,1-3H3,(H3,13,14).
What are the key properties of 2,6-dimethyl-4-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide?
2,6-dimethyl-4-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide has a molecular weight of 261.35 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide is sourced from PubChem (CID 81052305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).