2,6-dimethyl-4-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboximidamide

C13H17N5S — CID 81054743

IUPAC2,6-dimethyl-4-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(N(C)Cc2cscn2)cc(C)nc1C
InChIInChI=1S/C13H17N5S/c1-8-4-11(12(13(14)15)9(2)17-8)18(3)5-10-6-19-7-16-10/h4,6-7H,5H2,1-3H3,(H3,14,15)
InChIKeyQFLFJNRZLGRKIB-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.08
Rot. Bonds4

About 2,6-dimethyl-4-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboximidamide

2,6-dimethyl-4-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboximidamide (PubChem CID 81054743) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is 2,6-dimethyl-4-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboximidamide.

Molecular Properties

Compound Name2,6-dimethyl-4-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboximidamide
PubChem CID81054743
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC Name2,6-dimethyl-4-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(N(C)Cc2cscn2)cc(C)nc1C
InChIInChI=1S/C13H17N5S/c1-8-4-11(12(13(14)15)9(2)17-8)18(3)5-10-6-19-7-16-10/h4,6-7H,5H2,1-3H3,(H3,14,15)
InChIKeyQFLFJNRZLGRKIB-UHFFFAOYSA-N
XLogP2.08
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.08
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

2,6-dimethyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-3-carboximidamide
CID 81038338
4-[(4-fluorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carboximidamide
CID 81036488
4-chloro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]benzenecarboximidamide
CID 63092842
2,6-dimethyl-4-[methyl(2-methylbutyl)amino]pyridine-3-carboximidamide
CID 81054324
4-[2-ethoxyethyl(methyl)amino]-2,6-dimethylpyridine-3-carboximidamide
CID 81055757
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,6-dimethylpyridine-3-carboximidamide
CID 105415016
4-[ethyl(2-hydroxyethyl)amino]-2,6-dimethylpyridine-3-carboximidamide
CID 81053977
4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]benzenecarboximidamide
CID 55013686
4-[butyl(ethyl)amino]-2,6-dimethylpyridine-3-carboximidamide
CID 81054878
2,6-dimethyl-4-[2-methylpropyl(pentan-3-yl)amino]pyridine-3-carboximidamide
CID 81037767
4-[ethyl(2,2,2-trifluoroethyl)amino]-2,6-dimethylpyridine-3-carboximidamide
CID 81054399
2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]benzenecarboximidamide
CID 55013685

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboximidamide?
The IUPAC name of 2,6-dimethyl-4-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboximidamide (CID 81054743) is 2,6-dimethyl-4-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboximidamide.
What is the SMILES notation for 2,6-dimethyl-4-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboximidamide?
The canonical SMILES for 2,6-dimethyl-4-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboximidamide is [H]/N=C(\N)c1c(N(C)Cc2cscn2)cc(C)nc1C.
What is the InChIKey of 2,6-dimethyl-4-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboximidamide?
The InChIKey is QFLFJNRZLGRKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c1-8-4-11(12(13(14)15)9(2)17-8)18(3)5-10-6-19-7-16-10/h4,6-7H,5H2,1-3H3,(H3,14,15).
What are the key properties of 2,6-dimethyl-4-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboximidamide?
2,6-dimethyl-4-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboximidamide has a molecular weight of 275.38 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboximidamide is sourced from PubChem (CID 81054743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).